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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[6-(4-methylsulfonylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[6-(4-methylsulfonylphenoxy)-5-nitro-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[6-(4-methylsulfonylphenoxy)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[6-(4-mesylphenoxy)-5-nitro-pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C21H22N4O8S MolecularWeight: 490.48638

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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)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O8S/c1-3-31-18(26)10-11-24(13-16-5-4-12-32-16)20-19(25(27)28)21(23-14-22-20)33-15-6-8-17(9-7-15)34(2,29)30/h4-9,12,14H,3,10-11,13H2,1-2H3