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

Systemtic Name: methyl 4-[[[2-azanyl-4-oxidanylidene-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoate CAS Name: 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-amino-4-oxo-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoate Traditional Name: 4-[[[2-amino-4-keto-5-(trifluoromethyl)-1H-quinazolin-6-yl]amino]methyl]benzoic acid methyl ester Formula: C18H15F3N4O3 MolecularWeight: 392.33191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)NC(=NC3=O)N)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O3/c1-28-16(27)10-4-2-9(3-5-10)8-23-12-7-6-11-13(14(12)18(19,20)21)15(26)25-17(22)24-11/h2-7,23H,8H2,1H3,(H3,22,24,25,26)