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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

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