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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-propylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-propylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(propylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-propylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(propylthio)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H20N4O2S/c1-4-8-24-17-18-14-13(15(22)19-16(23)20(14)3)21(17)10-12-7-5-6-11(2)9-12/h5-7,9H,4,8,10H2,1-3H3,(H,19,22,23)