[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-bis(chloranyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-bis(chloranyl)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-dichlorobenzoate CAS Name: 3,5-dichlorobenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,5-dichlorobenzoate Traditional Name: 3,5-dichlorobenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C17H16Cl2N4O3 MolecularWeight: 395.23994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N4O3/c18-13-8-12(9-14(19)10-13)16(25)26-11-15(24)22-4-6-23(7-5-22)17-20-2-1-3-21-17/h1-3,8-10H,4-7,11H2