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

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[6-(benzylamino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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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)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-3-26(4-2)32(30,31)18-12-10-17(11-13-18)25-21-19(27(28)29)20(23-15-24-21)22-14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3,(H2,22,23,24,25)