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

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-[(2S)-3-oxidanylidenebutan-2-yl]purine-2,6-dione Openeye Name: 8-[[(2S)-2-ethyl-1-piperidyl]methyl]-1,3-dimethyl-7-[(1S)-1-methyl-2-oxo-propyl]purine-2,6-dione CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-1,3-dimethyl-7-[(2S)-3-oxobutan-2-yl]purine-2,6-dione IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3-dimethyl-7-[(2S)-3-oxobutan-2-yl]purine-2,6-dione Traditional Name: 8-[[(2S)-2-ethylpiperidino]methyl]-7-[(1S)-2-keto-1-methyl-propyl]-1,3-dimethyl-xanthine Formula: C19H29N5O3 MolecularWeight: 375.46526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2C(C)C(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CC2=NC3=C(N2[C@@H](C)C(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H29N5O3/c1-6-14-9-7-8-10-23(14)11-15-20-17-16(24(15)12(2)13(3)25)18(26)22(5)19(27)21(17)4/h12,14H,6-11H2,1-5H3/t12-,14-/m0/s1