ethyl 4-[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-[[4-(diethylsulfamoyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[4-(diethylsulfamoyl)anilino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[4-(diethylsulfamoyl)anilino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N7O6S MolecularWeight: 507.56326

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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-])N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N7O6S/c1-4-27(5-2)35(32,33)17-9-7-16(8-10-17)24-19-18(28(30)31)20(23-15-22-19)25-11-13-26(14-12-25)21(29)34-6-3/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,23,24)