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

Systemtic Name: N,N-diethyl-4-[[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(ethylamino)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(ethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C16H22N6O4S/c1-4-17-15-14(22(23)24)16(19-11-18-15)20-12-7-9-13(10-8-12)27(25,26)21(5-2)6-3/h7-11H,4-6H2,1-3H3,(H2,17,18,19,20)