4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[5-(4-cyanophenyl)-2-pyrimidinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[5-(4-cyanophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid Formula: C16H15N5O2 MolecularWeight: 309.3226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C16H15N5O2/c17-9-12-1-3-13(4-2-12)14-10-18-15(19-11-14)20-5-7-21(8-6-20)16(22)23/h1-4,10-11H,5-8H2,(H,22,23)