8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-3-methyl-7-[2-(p-tolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-3-methyl-7-[2-[(4-methylphenyl)thio]ethyl]purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-[2-(4-methylphenyl)sulfanylethyl]purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-3-methyl-7-[2-(p-tolylthio)ethyl]xanthine Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=CC=C(C=C4)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C22H29N5O2S/c1-14-5-7-17(8-6-14)30-10-9-27-18-19(25(4)22(29)24-20(18)28)23-21(27)26-12-15(2)11-16(3)13-26/h5-8,15-16H,9-13H2,1-4H3,(H,24,28,29)