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

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

Systemtic Name:1-[3-(6-oxidanylidene-3H-purin-9-yl)propanoyl]piperidine-3-carboxylic acid
Openeye Name:1-[3-(6-oxo-3H-purin-9-yl)propanoyl]piperidine-3-carboxylic acid
CAS Name:1-[1-oxo-3-(6-oxo-3H-purin-9-yl)propyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[3-(6-oxo-3H-purin-9-yl)propanoyl]piperidine-3-carboxylic acid
Traditional Name:1-[3-(6-keto-3H-purin-9-yl)propanoyl]nipecotic acid
Formula: C14H17N5O4
MolecularWeight: 319.31588
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C=NC3=C2NC=NC3=O)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(=O)CCN2C=NC3=C2NC=NC3=O)C(=O)O


InChI

InChI=1S/C14H17N5O4/c20-10(18-4-1-2-9(6-18)14(22)23)3-5-19-8-17-11-12(19)15-7-16-13(11)21/h7-9H,1-6H2,(H,22,23)(H,15,16,21)


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