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

Systemtic Name: methyl 3-azanyl-5-[[2-[(3-azanyl-5-methoxycarbonyl-phenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 3-amino-5-[[2-(3-amino-5-methoxycarbonyl-anilino)-5-fluoro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-amino-5-[[2-(3-amino-5-methoxycarbonylanilino)-5-fluoro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-5-[[2-(3-amino-5-methoxycarbonylanilino)-5-fluoropyrimidin-4-yl]amino]benzoate Traditional Name: 3-amino-5-[[2-(3-amino-5-carbomethoxy-anilino)-5-fluoro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19FN6O4 MolecularWeight: 426.401063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN6O4/c1-30-18(28)10-3-12(22)7-14(5-10)25-17-16(21)9-24-20(27-17)26-15-6-11(19(29)31-2)4-13(23)8-15/h3-9H,22-23H2,1-2H3,(H2,24,25,26,27)