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

Systemtic Name: 9-methyl-8-[(3-methylphenyl)methylsulfanyl]-3H-purin-6-one Openeye Name: 9-methyl-8-(m-tolylmethylsulfanyl)-3H-purin-6-one CAS Name: 9-methyl-8-[(3-methylphenyl)methylthio]-3H-purin-6-one IUPAC Name: 9-methyl-8-[(3-methylphenyl)methylsulfanyl]-3H-purin-6-one Traditional Name: 9-methyl-8-[(3-methylbenzyl)thio]-3H-purin-6-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(N2C)NC=NC3=O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(N2C)NC=NC3=O

InChI

InChI=1S/C14H14N4OS/c1-9-4-3-5-10(6-9)7-20-14-17-11-12(18(14)2)15-8-16-13(11)19/h3-6,8H,7H2,1-2H3,(H,15,16,19)