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

Systemtic Name: (4S)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxidanylidene-N-phenyl-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Openeye Name: (4S)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide CAS Name: (4S)-2-[(4,6-dimethyl-2-quinazolinyl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide IUPAC Name: (4S)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-oxo-N-phenyl-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Traditional Name: (4S)-2-[(4,6-dimethylquinazolin-2-yl)amino]-6-keto-N-phenyl-4,5-dihydro-1H-pyrimidin-3-ium-4-carboxamide Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C)NC3=[NH+]C(CC(=O)N3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C)NC3=[NH+][C@@H](CC(=O)N3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-12-8-9-16-15(10-12)13(2)22-20(24-16)27-21-25-17(11-18(28)26-21)19(29)23-14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,23,29)(H2,22,24,25,26,27,28)/p+1/t17-/m0/s1