4-[[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[6-(butan-2-ylamino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 4-[[6-(butan-2-ylamino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C18H26N6O4S MolecularWeight: 422.50184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)N(CC)CC

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)S(=O)(=O)N(CC)CC

InChI

InChI=1S/C18H26N6O4S/c1-5-13(4)21-17-16(24(25)26)18(20-12-19-17)22-14-8-10-15(11-9-14)29(27,28)23(6-2)7-3/h8-13H,5-7H2,1-4H3,(H2,19,20,21,22)