8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-(2-methyl-3-phenylsulfanyl-propyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-[2-methyl-3-(phenylthio)propyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-(2-methyl-3-phenylsulfanylpropyl)purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-[2-methyl-3-(phenylthio)propyl]xanthine Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=CC=CC=C4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=CC=CC=C4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C23H31N5O2S/c1-15-10-16(2)12-27(11-15)22-24-20-19(21(29)25-23(30)26(20)4)28(22)13-17(3)14-31-18-8-6-5-7-9-18/h5-9,15-17H,10-14H2,1-4H3,(H,25,29,30)