1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperidine-4-carboxylic acid Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-4-carboxylic acid CAS Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidine-4-carboxylic acid Traditional Name: 1-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)isonipecotic acid Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C13H17N5O4/c1-16-9-8(10(19)17(2)13(16)22)14-12(15-9)18-5-3-7(4-6-18)11(20)21/h7H,3-6H2,1-2H3,(H,14,15)(H,20,21)