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

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-[[(2S)-2-ethyl-1-piperidyl]methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[(2S)-2-ethylpiperidino]methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-xanthine Formula: C18H29N5O3 MolecularWeight: 363.45456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H29N5O3/c1-4-13-8-5-6-9-22(13)12-14-19-16-15(23(14)10-7-11-24)17(25)21(3)18(26)20(16)2/h13,24H,4-12H2,1-3H3/t13-/m0/s1