7-methyl-8-(2-methylphenyl)-6-(phenylmethylsulfanyl)purine

Systemtic Name: 7-methyl-8-(2-methylphenyl)-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-7-methyl-8-(o-tolyl)purine CAS Name: 7-methyl-8-(2-methylphenyl)-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-7-methyl-8-(2-methylphenyl)purine Traditional Name: 6-(benzylthio)-7-methyl-8-(o-tolyl)purine Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(N2C)C(=NC=N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(N2C)C(=NC=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4S/c1-14-8-6-7-11-16(14)19-23-18-17(24(19)2)20(22-13-21-18)25-12-15-9-4-3-5-10-15/h3-11,13H,12H2,1-2H3