ethyl (3S)-1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)nipecotic acid ethyl ester Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C15H21N5O4/c1-4-24-13(22)9-6-5-7-20(8-9)14-16-10-11(17-14)18(2)15(23)19(3)12(10)21/h9H,4-8H2,1-3H3,(H,16,17)/t9-/m0/s1