N,N-diethyl-4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-(3-methylbutylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(isopentylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(3-methylbutylamino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C19H28N6O4S MolecularWeight: 436.52842

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O4S/c1-5-24(6-2)30(28,29)16-9-7-15(8-10-16)23-19-17(25(26)27)18(21-13-22-19)20-12-11-14(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H2,20,21,22,23)