3-methyl-7-[(3-methylphenyl)methyl]-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-methylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-8-methylsulfanyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(methylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-methylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(methylthio)xanthine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SC)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SC)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H16N4O2S/c1-9-5-4-6-10(7-9)8-19-11-12(16-15(19)22-3)18(2)14(21)17-13(11)20/h4-7H,8H2,1-3H3,(H,17,20,21)