(4S)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: (4S)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4S)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4S)-2-(4-ethyl-1-piperazin-4-iumyl)-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4S)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4S)-2-(4-ethylpiperazin-4-ium-1-yl)-6-keto-N-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(CC(=O)N2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=N[C@@H](CC(=O)N2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-2-27-12-14-28(15-13-27)23-25-20(16-21(29)26-23)22(30)24-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3,(H,24,30)(H,25,26,29)/p+1/t20-/m0/s1