1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-piperidyl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-piperidinyl)-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-methylpiperidino)-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C19H25N7O2S MolecularWeight: 415.5125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7O2S/c1-13-5-9-25(10-6-13)18-22-15-14(16(27)24(3)19(28)23(15)2)26(18)11-12-29-17-20-7-4-8-21-17/h4,7-8,13H,5-6,9-12H2,1-3H3