N2-(4-chlorophenyl)-N4-[4-(dimethylamino)-2-phenyl-butyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-[4-(dimethylamino)-2-phenyl-butyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-[4-(dimethylamino)-2-phenyl-butyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[4-(dimethylamino)-2-phenylbutyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)-2-phenylbutyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-phenyl-butyl]-dimethyl-amine Formula: C22H25ClN6O2 MolecularWeight: 440.9259

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCC(CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN6O2/c1-28(2)13-12-17(16-6-4-3-5-7-16)14-24-21-20(29(30)31)15-25-22(27-21)26-19-10-8-18(23)9-11-19/h3-11,15,17H,12-14H2,1-2H3,(H2,24,25,26,27)