methyl 4-[[(5-fluoranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-fluoranyl-2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-fluoro-2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(5-fluoro-4-keto-2-methyl-1H-quinazolin-6-yl)amino]methyl]benzoic acid methyl ester Formula: C18H16FN3O3 MolecularWeight: 341.336343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H16FN3O3/c1-10-21-13-7-8-14(16(19)15(13)17(23)22-10)20-9-11-3-5-12(6-4-11)18(24)25-2/h3-8,20H,9H2,1-2H3,(H,21,22,23)