1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-piperidyl)-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperidinyl)-7-[2-[(4-methyl-2-pyrimidinyl)thio]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperidino)-7-[2-[(4-methylpyrimidin-2-yl)thio]ethyl]xanthine Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H27N7O2S/c1-13-6-9-26(10-7-13)19-23-16-15(17(28)25(4)20(29)24(16)3)27(19)11-12-30-18-21-8-5-14(2)22-18/h5,8,13H,6-7,9-12H2,1-4H3