2-methylpropyl 4-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C25H30N6O6S MolecularWeight: 542.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C

InChI

InChI=1S/C25H30N6O6S/c1-5-30(6-2)38(35,36)21-13-11-20(12-14-21)29-24-22(31(33)34)23(26-16-27-24)28-19-9-7-18(8-10-19)25(32)37-15-17(3)4/h7-14,16-17H,5-6,15H2,1-4H3,(H2,26,27,28,29)