6-azanyl-2-(4-methylphenyl)sulfanyl-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(4-methylphenyl)sulfanyl-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(p-tolylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-2-[(4-methylphenyl)thio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(4-methylphenyl)sulfanyl-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(p-tolylthio)-7H-purin-8-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C19H17N5OS/c1-12-7-9-14(10-8-12)26-18-22-16(20)15-17(23-18)24(19(25)21-15)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,25)(H2,20,22,23)