9635811
  -OEChem-05102416542D

 36 37  0     0  0  0  0  0  0999 V2000
    2.0000    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9635811

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
470

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgIYAAAADALBmCQzAIPAAACoAjFzUACSAAAgBwAciAAoAtiIIKKBExCAIAA4jyIIiEcAgAAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[[(E)-(4-chlorophenyl)methyleneamino]-ethyl-amino]-3-methyl-1H-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
6-[[(E)-(4-chlorophenyl)methylideneamino]-ethylamino]-3-methyl-1H-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[[(<I>E</I>)-(4-chlorophenyl)methylideneamino]-ethylamino]-3-methyl-1<I>H</I>-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
6-[[(E)-(4-chlorophenyl)methylideneamino]-ethylamino]-3-methyl-1H-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[[(E)-(4-chlorophenyl)methylideneamino]-ethyl-amino]-3-methyl-1H-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[[(E)-(4-chlorobenzylidene)amino]-ethyl-amino]-3-methyl-uracil

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15ClN4O2/c1-3-19(12-8-13(20)18(2)14(21)17-12)16-9-10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,17,21)/b16-9+

> <PUBCHEM_IUPAC_INCHIKEY>
OSHPWVBGYYZDQD-CXUHLZMHSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
306.0883534

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15ClN4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
306.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(C1=CC(=O)N(C(=O)N1)C)N=CC2=CC=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(C1=CC(=O)N(C(=O)N1)C)/N=C/C2=CC=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
65

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.0883534

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8
5  11  8
5  8  8
6  11  8
6  12  8
8  10  8

$$$$