methyl 3-[[5-fluoranyl-2-[(3-methoxycarbonylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 3-[[5-fluoranyl-2-[(3-methoxycarbonylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 3-[[5-fluoro-2-(3-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-fluoro-2-(3-methoxycarbonylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-fluoro-2-(3-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[2-(3-carbomethoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H17FN4O4 MolecularWeight: 396.371783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C20H17FN4O4/c1-28-18(26)12-5-3-7-14(9-12)23-17-16(21)11-22-20(25-17)24-15-8-4-6-13(10-15)19(27)29-2/h3-11H,1-2H3,(H2,22,23,24,25)