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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H27N7O2S/c1-12-6-5-7-26(11-12)19-23-16-15(17(28)24-20(29)25(16)4)27(19)8-9-30-18-21-13(2)10-14(3)22-18/h10,12H,5-9,11H2,1-4H3,(H,24,28,29)