N-(4-cyanophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-(7H-purin-6-yl)-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-(7H-purin-6-yl)piperazine-1-carboxamide Formula: C17H16N8O MolecularWeight: 348.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C17H16N8O/c18-9-12-1-3-13(4-2-12)23-17(26)25-7-5-24(6-8-25)16-14-15(20-10-19-14)21-11-22-16/h1-4,10-11H,5-8H2,(H,23,26)(H,19,20,21,22)