70476551
  -OEChem-05072423592D

 51 53  0     0  0  0  0  0  0999 V2000
    8.3672    4.6556    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0856    1.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    2.1603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8834    5.1601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310    0.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    6.6739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    8.2294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    3.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001    3.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    3.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    4.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436    4.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6509    1.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3309    0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.8441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3908    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813    3.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9373    3.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3438    3.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064    5.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    4.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3529    4.5354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9624    5.2303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2143    1.3045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9671    2.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2590    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9358    0.4799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    8.0276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    7.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    6.1578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    9.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.8147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    9.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3672    4.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 51  1  0  0  0  0
  2 17  2  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4 25  1  0  0  0  0
  4 27  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 18  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 41  1  0  0  0  0
  8 18  2  0  0  0  0
  8 22  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70476551

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAEAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAACx8AAAHgAQAAAADCzBngY39vfIFACoAyZjdACCiCkxIqAB2KA+7JiNbqLE+NuUNCpu1hvK6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]imidazolidin-2-one;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
1-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-2-imidazolidinone;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one;hydrochloride

> <PUBCHEM_IUPAC_NAME>
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-2-imidazolidinone;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H23N5O3.ClH/c1-25-15-9-13-14(10-16(15)26-2)20-11-21-17(13)22-6-3-12(4-7-22)23-8-5-19-18(23)24;/h9-12H,3-8H2,1-2H3,(H,19,24);1H

> <PUBCHEM_IUPAC_INCHIKEY>
IPXGIDIDEFTXJU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
393.1567673

> <PUBCHEM_MOLECULAR_FORMULA>
C18H24ClN5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
393.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4CCNC4=O)OC.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)N4CCNC4=O)OC.Cl

> <PUBCHEM_CACTVS_TPSA>
79.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.1567673

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  19  8
19  20  8
19  21  8
20  23  8
21  24  8
23  25  8
24  25  8
8  18  8
8  22  8
9  20  8
9  22  8

$$$$