(4S)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-N-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide

Systemtic Name: (4S)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-N-(4-methylphenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Openeye Name: (4S)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-oxo-N-(p-tolyl)-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide CAS Name: (4S)-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide IUPAC Name: (4S)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-N-(4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Traditional Name: (4S)-6-keto-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-N-(p-tolyl)-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Formula: C22H23N6O3+ MolecularWeight: 419.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=[NH+]2)NC3=NC4=C(C=C(C=C4)OC)C(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)NC(=[NH+]2)NC3=NC4=C(C=C(C=C4)OC)C(=N3)C

InChI

InChI=1S/C22H22N6O3/c1-12-4-6-14(7-5-12)24-20(30)18-11-19(29)27-22(26-18)28-21-23-13(2)16-10-15(31-3)8-9-17(16)25-21/h4-10,18H,11H2,1-3H3,(H,24,30)(H2,23,25,26,27,28,29)/p+1/t18-/m0/s1