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

Systemtic Name: methyl 4-[[[2-(2,2-dimethylpropanoylamino)-5-fluoranyl-4-oxidanylidene-1H-quinazolin-6-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2,2-dimethylpropanoylamino)-5-fluoro-4-oxo-1H-quinazolin-6-yl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]-5-fluoro-4-oxo-1H-quinazolin-6-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,2-dimethylpropanoylamino)-5-fluoro-4-oxo-1H-quinazolin-6-yl]amino]methyl]benzoate Traditional Name: 4-[[[5-fluoro-4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]amino]methyl]benzoic acid methyl ester Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)C=CC(=C2F)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23FN4O4/c1-22(2,3)20(30)27-21-25-14-9-10-15(17(23)16(14)18(28)26-21)24-11-12-5-7-13(8-6-12)19(29)31-4/h5-10,24H,11H2,1-4H3,(H2,25,26,27,28,30)