8-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[(3R,5R)-3,5-dimethyl-1-piperidyl]methyl]-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[(3R,5R)-3,5-dimethylpiperidino]methyl]-7-ethyl-1,3-dimethyl-xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(CC(C3)C)C

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C17H27N5O2/c1-6-22-13(10-21-8-11(2)7-12(3)9-21)18-15-14(22)16(23)20(5)17(24)19(15)4/h11-12H,6-10H2,1-5H3/t11-,12-/m1/s1