ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-2-(4-methyl-1-piperazin-4-iumyl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-6-keto-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N4O3+ MolecularWeight: 345.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CC[NH+](CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3/c1-3-25-17(24)14-15(13-7-5-4-6-8-13)19-18(20-16(14)23)22-11-9-21(2)10-12-22/h4-8,14-15H,3,9-12H2,1-2H3,(H,19,20,23)/p+1/t14-,15+/m0/s1