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

Systemtic Name: methyl 5-[[5-fluoranyl-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl]amino]-2-methoxy-benzoate Openeye Name: methyl 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2-methoxy-benzoate CAS Name: 5-[[5-fluoro-4-(3-hydroxyanilino)-2-pyrimidinyl]amino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2-methoxybenzoate Traditional Name: 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2-methoxy-benzoic acid methyl ester Formula: C19H17FN4O4 MolecularWeight: 384.361083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)O)F)C(=O)OC

InChI

InChI=1S/C19H17FN4O4/c1-27-16-7-6-12(9-14(16)18(26)28-2)23-19-21-10-15(20)17(24-19)22-11-4-3-5-13(25)8-11/h3-10,25H,1-2H3,(H2,21,22,23,24)