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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2S/c1-13-7-6-8-27(12-13)20-24-17-16(18(29)26(5)21(30)25(17)4)28(20)9-10-31-19-22-14(2)11-15(3)23-19/h11,13H,6-10,12H2,1-5H3