N,N-diethyl-4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C17H24N6O4S MolecularWeight: 408.47526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4S/c1-5-22(6-2)28(26,27)14-9-7-13(8-10-14)21-17-15(23(24)25)16(18-11-19-17)20-12(3)4/h7-12H,5-6H2,1-4H3,(H2,18,19,20,21)