(4S)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: (4S)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4S)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4S)-N-(3,4-dimethylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4S)-N-(3,4-dimethylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4S)-N-(3,4-dimethylphenyl)-6-keto-2-(4-methylpiperazin-4-ium-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=N2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC(=O)NC(=N2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C18H25N5O2/c1-12-4-5-14(10-13(12)2)19-17(25)15-11-16(24)21-18(20-15)23-8-6-22(3)7-9-23/h4-5,10,15H,6-9,11H2,1-3H3,(H,19,25)(H,20,21,24)/p+1/t15-/m0/s1