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9-(4-methylphenyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one

9-(4-methylphenyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one

Systemtic Name:9-(4-methylphenyl)-8-(phenylmethylsulfanyl)-3H-purin-6-one
Openeye Name:8-benzylsulfanyl-9-(p-tolyl)-3H-purin-6-one
CAS Name:9-(4-methylphenyl)-8-(phenylmethylthio)-3H-purin-6-one
IUPAC Name:8-benzylsulfanyl-9-(4-methylphenyl)-3H-purin-6-one
Traditional Name:8-(benzylthio)-9-(p-tolyl)-3H-purin-6-one
Formula: C19H16N4OS
MolecularWeight: 348.42154
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=C4


Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=CC=C4


InChI

InChI=1S/C19H16N4OS/c1-13-7-9-15(10-8-13)23-17-16(18(24)21-12-20-17)22-19(23)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,21,24)


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