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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=NC3=C(N2CCSC4=NC=CC=N4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H25N7O2S/c1-13-6-4-9-25(12-13)18-22-15-14(16(27)24(3)19(28)23(15)2)26(18)10-11-29-17-20-7-5-8-21-17/h5,7-8,13H,4,6,9-12H2,1-3H3/t13-/m1/s1