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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CCCSC4=NC=CC(=N4)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C21H29N7O2S/c1-13-10-14(2)12-27(11-13)20-24-17-16(18(29)25-21(30)26(17)4)28(20)8-5-9-31-19-22-7-6-15(3)23-19/h6-7,13-14H,5,8-12H2,1-4H3,(H,25,29,30)