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

Systemtic Name: methyl 4-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 4-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(3-chloro-4-methoxyanilino)-5-fluoro-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C19H16ClFN4O3 MolecularWeight: 402.806743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C19H16ClFN4O3/c1-27-16-8-7-13(9-14(16)20)23-17-15(21)10-22-19(25-17)24-12-5-3-11(4-6-12)18(26)28-2/h3-10H,1-2H3,(H2,22,23,24,25)