2-[(4S)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-5-oxidanylidene-1,4-dihydroimidazol-3-ium-4-yl]ethanoate

Systemtic Name: 2-[(4S)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-5-oxidanylidene-1,4-dihydroimidazol-3-ium-4-yl]ethanoate Openeye Name: 2-[(4S)-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate CAS Name: 2-[(4S)-2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate IUPAC Name: 2-[(4S)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5-oxo-1,4-dihydroimidazol-3-ium-4-yl]acetate Traditional Name: 2-[(4S)-5-keto-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-2-imidazolin-3-ium-4-yl]acetate Formula: C15H15N5O4 MolecularWeight: 329.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=[NH+]C(C(=O)N3)CC(=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)OC)NC3=[NH+][C@H](C(=O)N3)CC(=O)[O-]

InChI

InChI=1S/C15H15N5O4/c1-7-9-5-8(24-2)3-4-10(9)17-14(16-7)20-15-18-11(6-12(21)22)13(23)19-15/h3-5,11H,6H2,1-2H3,(H,21,22)(H2,16,17,18,19,20,23)/t11-/m0/s1