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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H25N7O2S/c1-13-6-3-9-25(12-13)18-22-15-14(16(27)23-19(28)24(15)2)26(18)10-5-11-29-17-20-7-4-8-21-17/h4,7-8,13H,3,5-6,9-12H2,1-2H3,(H,23,27,28)/t13-/m1/s1