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

Systemtic Name: (4R)-N-(4-methoxyphenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Openeye Name: (4R)-N-(4-methoxyphenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide CAS Name: (4R)-N-(4-methoxyphenyl)-2-[(4-methyl-2-quinazolinyl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide IUPAC Name: (4R)-N-(4-methoxyphenyl)-2-[(4-methylquinazolin-2-yl)amino]-6-oxo-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Traditional Name: (4R)-6-keto-N-(4-methoxyphenyl)-2-[(4-methylquinazolin-2-yl)amino]-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Formula: C21H21N6O3+ MolecularWeight: 405.42984

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3/c1-12-15-5-3-4-6-16(15)24-20(22-12)27-21-25-17(11-18(28)26-21)19(29)23-13-7-9-14(30-2)10-8-13/h3-10,17H,11H2,1-2H3,(H,23,29)(H2,22,24,25,26,27,28)/p+1/t17-/m1/s1