3-methyl-8-(2-methylpropylsulfanyl)-9-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-9-(phenylmethyl)purine-2,6-dione Openeye Name: 9-benzyl-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylthio)-9-(phenylmethyl)purine-2,6-dione IUPAC Name: 9-benzyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 9-benzyl-8-(isobutylthio)-3-methyl-xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H20N4O2S/c1-11(2)10-24-17-18-13-14(22)19-16(23)20(3)15(13)21(17)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,22,23)