9-(4-methylphenyl)-8-[(4-methylphenyl)methylsulfanyl]-3H-purin-6-one

Systemtic Name: 9-(4-methylphenyl)-8-[(4-methylphenyl)methylsulfanyl]-3H-purin-6-one Openeye Name: 9-(p-tolyl)-8-(p-tolylmethylsulfanyl)-3H-purin-6-one CAS Name: 9-(4-methylphenyl)-8-[(4-methylphenyl)methylthio]-3H-purin-6-one IUPAC Name: 9-(4-methylphenyl)-8-[(4-methylphenyl)methylsulfanyl]-3H-purin-6-one Traditional Name: 8-[(4-methylbenzyl)thio]-9-(p-tolyl)-3H-purin-6-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O

InChI

InChI=1S/C20H18N4OS/c1-13-3-7-15(8-4-13)11-26-20-23-17-18(21-12-22-19(17)25)24(20)16-9-5-14(2)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,22,25)