N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-(3-chlorophenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-(3-chlorophenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-(3-chlorophenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-tert-butyl-1H-pyrazol-3-yl)-N2-(3-chlorophenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-(3-chlorophenyl)-6-(3-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: (5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-chloroanilino)-6-(3-nitrophenyl)pyrimidin-4-yl]amine Formula: C23H22ClN7O2 MolecularWeight: 463.91948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)NC2=NC(=NC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)NC2=NC(=NC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN7O2/c1-23(2,3)19-13-21(30-29-19)27-20-12-18(14-6-4-9-17(10-14)31(32)33)26-22(28-20)25-16-8-5-7-15(24)11-16/h4-13H,1-3H3,(H3,25,26,27,28,29,30)