[3-[[2-[(3-acetyloxyphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenyl] ethanoate

Systemtic Name: [3-[[2-[(3-acetyloxyphenyl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenyl] ethanoate Openeye Name: [3-[[2-(3-acetoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]phenyl] acetate CAS Name: acetic acid [3-[[2-(3-acetyloxyanilino)-5-fluoro-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[[2-(3-acetyloxyanilino)-5-fluoropyrimidin-4-yl]amino]phenyl] acetate Traditional Name: acetic acid [3-[[2-(3-acetoxyanilino)-5-fluoro-pyrimidin-4-yl]amino]phenyl] ester Formula: C20H17FN4O4 MolecularWeight: 396.371783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)OC(=O)C

InChI

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