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

Systemtic Name: (4S)-N-(4-chlorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Openeye Name: (4S)-N-(4-chlorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide CAS Name: (4S)-N-(4-chlorophenyl)-2-[(4-methyl-2-quinazolinyl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide IUPAC Name: (4S)-N-(4-chlorophenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Traditional Name: (4S)-N-(4-chlorophenyl)-6-keto-2-[(4-methylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Formula: C20H18ClN6O2+ MolecularWeight: 409.84892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC3=[NH+]C(CC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC3=[NH+][C@@H](CC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN6O2/c1-11-14-4-2-3-5-15(14)24-19(22-11)27-20-25-16(10-17(28)26-20)18(29)23-13-8-6-12(21)7-9-13/h2-9,16H,10H2,1H3,(H,23,29)(H2,22,24,25,26,27,28)/p+1/t16-/m0/s1