(4S)-N-(3-chloranyl-4-methyl-phenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide

Systemtic Name: (4S)-N-(3-chloranyl-4-methyl-phenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Openeye Name: (4S)-N-(3-chloro-4-methyl-phenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide CAS Name: (4S)-N-(3-chloro-4-methylphenyl)-2-[(4-methyl-2-quinazolinyl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide IUPAC Name: (4S)-N-(3-chloro-4-methylphenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Traditional Name: (4S)-N-(3-chloro-4-methyl-phenyl)-6-keto-2-[(4-methylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Formula: C21H20ClN6O2+ MolecularWeight: 423.8755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=[NH+]2)NC3=NC4=CC=CC=C4C(=N3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC(=O)NC(=[NH+]2)NC3=NC4=CC=CC=C4C(=N3)C)Cl

InChI

InChI=1S/C21H19ClN6O2/c1-11-7-8-13(9-15(11)22)24-19(30)17-10-18(29)27-21(26-17)28-20-23-12(2)14-5-3-4-6-16(14)25-20/h3-9,17H,10H2,1-2H3,(H,24,30)(H2,23,25,26,27,28,29)/p+1/t17-/m0/s1