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

Systemtic Name: 2-[9-[(2-cyanophenyl)methyl]-8-oxidanylidene-7H-purin-6-yl]piperazine-1-carboxylic acid Openeye Name: 2-[9-[(2-cyanophenyl)methyl]-8-oxo-7H-purin-6-yl]piperazine-1-carboxylic acid CAS Name: 2-[9-[(2-cyanophenyl)methyl]-8-oxo-7H-purin-6-yl]-1-piperazinecarboxylic acid IUPAC Name: 2-[9-[(2-cyanophenyl)methyl]-8-oxo-7H-purin-6-yl]piperazine-1-carboxylic acid Traditional Name: 2-[9-(2-cyanobenzyl)-8-keto-7H-purin-6-yl]piperazine-1-carboxylic acid Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=C3C(=NC=N2)N(C(=O)N3)CC4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=C3C(=NC=N2)N(C(=O)N3)CC4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C18H17N7O3/c19-7-11-3-1-2-4-12(11)9-25-16-15(23-17(25)26)14(21-10-22-16)13-8-20-5-6-24(13)18(27)28/h1-4,10,13,20H,5-6,8-9H2,(H,23,26)(H,27,28)