3-methyl-8-(2-phenylsulfanylethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-phenylsulfanylethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-3-methyl-8-(2-phenylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-[2-(phenylthio)ethyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-phenylsulfanylethyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-3-methyl-8-[2-(phenylthio)ethyl]xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1C(=O)NC(=O)N2C)CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NC2=C1C(=O)NC(=O)N2C)CCSC3=CC=CC=C3

InChI

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