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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O4S/c1-5-8-13-23(4)19-17(25(26)27)18(20-14-21-19)22-15-9-11-16(12-10-15)30(28,29)24(6-2)7-3/h9-12,14H,5-8,13H2,1-4H3,(H,20,21,22)