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

Systemtic Name: 4-[[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C24H30N6O5S MolecularWeight: 514.5972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O5S/c1-4-7-16-35-20-12-8-18(9-13-20)27-23-22(30(31)32)24(26-17-25-23)28-19-10-14-21(15-11-19)36(33,34)29(5-2)6-3/h8-15,17H,4-7,16H2,1-3H3,(H2,25,26,27,28)