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

Systemtic Name: 2-[9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid Openeye Name: 2-[9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid CAS Name: 2-[9-[(2-cyanophenyl)methyl]-6-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[9-[(2-cyanophenyl)methyl]purin-6-yl]piperazine-1-carboxylic acid Traditional Name: 2-[9-(2-cyanobenzyl)purin-6-yl]piperazine-1-carboxylic acid Formula: C18H17N7O2 MolecularWeight: 363.37328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O2/c19-7-12-3-1-2-4-13(12)9-24-11-23-16-15(21-10-22-17(16)24)14-8-20-5-6-25(14)18(26)27/h1-4,10-11,14,20H,5-6,8-9H2,(H,26,27)