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

Systemtic Name: 4-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C24H30N6O4S MolecularWeight: 498.5978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C24H30N6O4S/c1-4-7-8-18-9-11-19(12-10-18)27-23-22(30(31)32)24(26-17-25-23)28-20-13-15-21(16-14-20)35(33,34)29(5-2)6-3/h9-17H,4-8H2,1-3H3,(H2,25,26,27,28)