4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]-2-fluoro-benzoic acid CAS Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoic acid IUPAC Name: 4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoic acid Traditional Name: 2-fluoro-4-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzoic acid Formula: C19H18FN3O3 MolecularWeight: 355.362923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CC(=C(C=C3)C(=O)O)F

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(C)C3=CC(=C(C=C3)C(=O)O)F

InChI

InChI=1S/C19H18FN3O3/c1-10-6-17-15(18(24)22-11(2)21-17)7-12(10)9-23(3)13-4-5-14(19(25)26)16(20)8-13/h4-8H,9H2,1-3H3,(H,25,26)(H,21,22,24)