2-[9-(2-cyanoethyl)-8-oxidanylidene-7H-purin-6-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[9-(2-cyanoethyl)-8-oxidanylidene-7H-purin-6-yl]piperazine-1-carboxylic acid Openeye Name: 2-[9-(2-cyanoethyl)-8-oxo-7H-purin-6-yl]piperazine-1-carboxylic acid CAS Name: 2-[9-(2-cyanoethyl)-8-oxo-7H-purin-6-yl]-1-piperazinecarboxylic acid IUPAC Name: 2-[9-(2-cyanoethyl)-8-oxo-7H-purin-6-yl]piperazine-1-carboxylic acid Traditional Name: 2-[9-(2-cyanoethyl)-8-keto-7H-purin-6-yl]piperazine-1-carboxylic acid Formula: C13H15N7O3 MolecularWeight: 317.3033

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=C3C(=NC=N2)N(C(=O)N3)CCC#N)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=C3C(=NC=N2)N(C(=O)N3)CCC#N)C(=O)O

InChI

InChI=1S/C13H15N7O3/c14-2-1-4-20-11-10(18-12(20)21)9(16-7-17-11)8-6-15-3-5-19(8)13(22)23/h7-8,15H,1,3-6H2,(H,18,21)(H,22,23)