7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methyl-propyl]-3-methyl-8-(3-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-methylpropyl]-3-methyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropyl]-3-methyl-8-(3-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-methyl-propyl]-3-methyl-8-(3-methylpiperidino)xanthine Formula: C22H31N7O2S MolecularWeight: 457.59224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC(C)CSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CC(C)CSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C22H31N7O2S/c1-13-7-6-8-28(10-13)21-25-18-17(19(30)26-22(31)27(18)5)29(21)11-14(2)12-32-20-23-15(3)9-16(4)24-20/h9,13-14H,6-8,10-12H2,1-5H3,(H,26,30,31)