3-(6-oxidanylidene-3H-purin-9-yl)-1-propanoyl-piperidine-3-carboxylic acid

Systemtic Name: 3-(6-oxidanylidene-3H-purin-9-yl)-1-propanoyl-piperidine-3-carboxylic acid Openeye Name: 3-(6-oxo-3H-purin-9-yl)-1-propanoyl-piperidine-3-carboxylic acid CAS Name: 1-(1-oxopropyl)-3-(6-oxo-3H-purin-9-yl)-3-piperidinecarboxylic acid IUPAC Name: 3-(6-oxo-3H-purin-9-yl)-1-propanoylpiperidine-3-carboxylic acid Traditional Name: 3-(6-keto-3H-purin-9-yl)-1-propionyl-nipecotic acid Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC(C1)(C(=O)O)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CCC(=O)N1CCCC(C1)(C(=O)O)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C14H17N5O4/c1-2-9(20)18-5-3-4-14(6-18,13(22)23)19-8-17-10-11(19)15-7-16-12(10)21/h7-8H,2-6H2,1H3,(H,22,23)(H,15,16,21)