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

Systemtic Name: N,N-diethyl-4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O4S/c1-4-27(5-2)33(31,32)19-13-11-18(12-14-19)25-21-20(28(29)30)22(24-16-23-21)26(3)15-17-9-7-6-8-10-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,24,25)