1-methyl-3-(2-methylpropyl)-8-(2-methylsulfanylphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-(2-methylsulfanylphenyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-(2-methylsulfanylphenyl)-7H-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-8-[2-(methylthio)phenyl]-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-(2-methylsulfanylphenyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-[2-(methylthio)phenyl]-7H-purine-2,6-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3SC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3SC

InChI

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