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2-azanyl-7,9-bis(phenylmethyl)-8-sulfanylidene-3H-purin-6-one

2-azanyl-7,9-bis(phenylmethyl)-8-sulfanylidene-3H-purin-6-one

Systemtic Name:2-azanyl-7,9-bis(phenylmethyl)-8-sulfanylidene-3H-purin-6-one
Openeye Name:2-amino-7,9-dibenzyl-8-thioxo-3H-purin-6-one
CAS Name:2-amino-7,9-bis(phenylmethyl)-8-sulfanylidene-3H-purin-6-one
IUPAC Name:2-amino-7,9-dibenzyl-8-sulfanylidene-3H-purin-6-one
Traditional Name:2-amino-7,9-dibenzyl-8-thioxo-3H-purin-6-one
Formula: C19H17N5OS
MolecularWeight: 363.43618
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(NC(=NC3=O)N)N(C2=S)CC4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(NC(=NC3=O)N)N(C2=S)CC4=CC=CC=C4


InChI

InChI=1S/C19H17N5OS/c20-18-21-16-15(17(25)22-18)23(11-13-7-3-1-4-8-13)19(26)24(16)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,20,21,22,25)


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