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

Systemtic Name: 3-methyl-8-[(3R)-3-methylpiperidin-1-yl]-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 3-methyl-8-[(3R)-3-methyl-1-piperidyl]-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione CAS Name: 3-methyl-8-[(3R)-3-methyl-1-piperidinyl]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-8-[(3R)-3-methylpiperidin-1-yl]-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 3-methyl-8-[(3R)-3-methylpiperidino]-7-[2-(2-pyrimidylthio)ethyl]xanthine Formula: C18H23N7O2S MolecularWeight: 401.48592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O2S/c1-12-5-3-8-24(11-12)17-21-14-13(15(26)22-18(27)23(14)2)25(17)9-10-28-16-19-6-4-7-20-16/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,22,26,27)/t12-/m1/s1