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

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethyl-1-piperidyl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidino)-7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-3-methyl-xanthine Formula: C21H29N7O2S MolecularWeight: 443.56566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C21H29N7O2S/c1-12-8-13(2)11-27(10-12)20-24-17-16(18(29)25-21(30)26(17)5)28(20)6-7-31-19-22-14(3)9-15(4)23-19/h9,12-13H,6-8,10-11H2,1-5H3,(H,25,29,30)