2,4-bis(oxidanylidene)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrimidine-6-carboxylate

Systemtic Name: 2,4-bis(oxidanylidene)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrimidine-6-carboxylate Openeye Name: 2,4-dioxo-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-pyrimidine-6-carboxylate IUPAC Name: 2,4-dioxo-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-pyrimidine-6-carboxylate Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NC(=O)NC2=O)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NC(=O)NC2=O)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O4/c21-14-12(13(15(22)23)17-16(24)18-14)10-19-6-8-20(9-7-19)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,22,23)(H2,17,18,21,24)