647027
  -OEChem-05132417162D

 30 33  0     0  0  0  0  0  0999 V2000
    2.9750    2.1030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -2.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601   -1.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -3.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -2.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2841    3.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841    3.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471    0.8252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    0.3252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    0.3252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -1.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934   -1.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9094   -3.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6636   -3.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -2.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062   -2.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    1.9114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6485    3.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    3.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 16  2  0  0  0  0
 10 14  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
647027

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
289

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAADx1AAAHgAQAAAADAzhmAYxxMLABECIAqxSwACCCAAlIgAIiIGObMiOJjLE9fuHOSjs0BPY6aeYkYIOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-furyl)-2,3-dihydro-1H-perimidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-furanyl)-2,3-dihydro-1H-perimidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(furan-2-yl)-2,3-dihydro-1<I>H</I>-perimidine

> <PUBCHEM_IUPAC_NAME>
2-(furan-2-yl)-2,3-dihydro-1H-perimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(furan-2-yl)-2,3-dihydro-1H-perimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-furyl)-2,3-dihydro-1H-perimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O/c1-4-10-5-2-7-12-14(10)11(6-1)16-15(17-12)13-8-3-9-18-13/h1-9,15-17H

> <PUBCHEM_IUPAC_INCHIKEY>
ULYJQHBTOHTGKS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
236.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
236.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
37.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.094963011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  18  8
1  9  8
10  14  8
11  15  8
12  14  8
13  15  8
16  17  8
17  18  8
5  6  8
5  7  8
5  8  8
6  10  8
7  11  8
8  12  8
8  13  8
9  16  8

$$$$