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

Systemtic Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]-4-pyrimidinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[2-furfuryl-[5-nitro-6-[(4-sulfamoylbenzyl)amino]pyrimidin-4-yl]amino]propionic acid ethyl ester Formula: C21H24N6O7S MolecularWeight: 504.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H24N6O7S/c1-2-33-18(28)9-10-26(13-16-4-3-11-34-16)21-19(27(29)30)20(24-14-25-21)23-12-15-5-7-17(8-6-15)35(22,31)32/h3-8,11,14H,2,9-10,12-13H2,1H3,(H2,22,31,32)(H,23,24,25)