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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[2-(4-sulfamoylphenyl)ethylamino]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C22H26N6O7S MolecularWeight: 518.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H26N6O7S/c1-2-34-19(29)10-12-27(14-17-4-3-13-35-17)22-20(28(30)31)21(25-15-26-22)24-11-9-16-5-7-18(8-6-16)36(23,32)33/h3-8,13,15H,2,9-12,14H2,1H3,(H2,23,32,33)(H,24,25,26)