ethyl 3-[[6-(4-fluoranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[6-(4-fluoranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[[6-(4-fluoro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanoate CAS Name: 3-[[6-(4-fluoro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-fluoro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[[6-(4-fluoro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionic acid ethyl ester Formula: C21H21FN4O6 MolecularWeight: 444.413043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O6/c1-3-30-18(27)8-9-25(12-16-5-4-10-31-16)20-19(26(28)29)21(24-13-23-20)32-15-6-7-17(22)14(2)11-15/h4-7,10-11,13H,3,8-9,12H2,1-2H3