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

Systemtic Name: (4S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4S)-2-(4-methyl-1-piperazin-4-iumyl)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4S)-6-keto-2-(4-methylpiperazin-4-ium-1-yl)-N-phenyl-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-20-7-9-21(10-8-20)16-18-13(11-14(22)19-16)15(23)17-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,23)(H,18,19,22)/p+1/t13-/m0/s1