3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanyl-propyl)-8-piperidin-1-yl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

Isomeric SMILES

CC(CN1C2=C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4

InChI

InChI=1S/C19H25N7O2S/c1-13(12-29-17-20-7-6-8-21-17)11-26-14-15(24(2)19(28)23-16(14)27)22-18(26)25-9-4-3-5-10-25/h6-8,13H,3-5,9-12H2,1-2H3,(H,23,27,28)