3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethyl]-8-piperidino-xanthine Formula: C16H22N8O2S MolecularWeight: 390.46328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CN1C=NN=C1SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C16H22N8O2S/c1-21-10-17-20-16(21)27-9-8-24-11-12(22(2)15(26)19-13(11)25)18-14(24)23-6-4-3-5-7-23/h10H,3-9H2,1-2H3,(H,19,25,26)