7-ethyl-1,3-dimethyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[[(2S)-2-methyl-1-piperidyl]methyl]purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[[(2S)-2-methyl-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[[(2S)-2-methylpiperidin-1-yl]methyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[[(2S)-2-methylpiperidino]methyl]xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC[C@@H]3C

InChI

InChI=1S/C16H25N5O2/c1-5-21-12(10-20-9-7-6-8-11(20)2)17-14-13(21)15(22)19(4)16(23)18(14)3/h11H,5-10H2,1-4H3/t11-/m0/s1