N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C19H27N7O4S MolecularWeight: 449.52718

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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-])N3CCN(CC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C19H27N7O4S/c1-4-25(5-2)31(29,30)16-8-6-15(7-9-16)22-18-17(26(27)28)19(21-14-20-18)24-12-10-23(3)11-13-24/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21,22)