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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)N(CC)CC

InChI

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