905708
  -OEChem-05052413402D

 41 44  0     0  0  0  0  0  0999 V2000
    4.6783   -2.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    1.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    0.5683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.2064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    1.2364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    2.1081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.2064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    2.6108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    3.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316    2.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819   -1.8034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.1834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  2  0  0  0  0
  4 11  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  2  0  0  0  0
 13 26  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 15 21  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 24  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
905708

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
415

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB/AAAHgAQAAAADASBmgQ3tNZIFECoAqNzdACCiCk9IKAJ2CEsTNiMLjrE/duOPajuwxtI6ee8yPCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-bis(p-tolyl)furo[2,3-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-bis(4-methylphenyl)-4-furo[2,3-d]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_NAME>
5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5,6-bis(p-tolyl)furo[2,3-d]pyrimidin-4-yl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H17N3O/c1-12-3-7-14(8-4-12)16-17-19(21)22-11-23-20(17)24-18(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
UFVGNLZUNWOIDC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
315.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
315.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CC=C(C=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CC=C(C=C4)C

> <PUBCHEM_CACTVS_TPSA>
64.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  10  8
1  6  8
12  17  8
13  18  8
14  20  8
15  21  8
16  17  8
16  18  8
19  20  8
19  21  8
2  10  8
2  22  8
3  11  8
3  22  8
5  6  8
5  7  8
7  10  8
7  11  8
8  12  8
8  13  8
9  14  8
9  15  8

$$$$