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

Systemtic Name: N,N-diethyl-4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]benzenesulfonamide Openeye Name: 4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(6-anilino-5-nitro-4-pyrimidinyl)amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(6-anilino-5-nitropyrimidin-4-yl)amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]-N,N-diethyl-benzenesulfonamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4S/c1-3-25(4-2)31(29,30)17-12-10-16(11-13-17)24-20-18(26(27)28)19(21-14-22-20)23-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24)