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

Systemtic Name: N,N-diethyl-4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(methylamino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(methylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C15H20N6O4S MolecularWeight: 380.4221

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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O4S/c1-4-20(5-2)26(24,25)12-8-6-11(7-9-12)19-15-13(21(22)23)14(16-3)17-10-18-15/h6-10H,4-5H2,1-3H3,(H2,16,17,18,19)