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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 8-isopropylsulfanyl-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 8-(isopropylthio)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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