N,N-diethyl-4-[[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-[(3-nitrophenyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(3-nitroanilino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H21N7O6S MolecularWeight: 487.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O6S/c1-3-25(4-2)34(32,33)17-10-8-14(9-11-17)23-19-18(27(30)31)20(22-13-21-19)24-15-6-5-7-16(12-15)26(28)29/h5-13H,3-4H2,1-2H3,(H2,21,22,23,24)