4-(benzimidazol-1-yl)-6-(2-methylphenyl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine

Systemtic Name: 4-(benzimidazol-1-yl)-6-(2-methylphenyl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine Openeye Name: 4-(benzimidazol-1-yl)-N-[1-(3-nitrophenyl)ethyl]-6-(o-tolyl)pyrimidin-2-amine CAS Name: 4-(1-benzimidazolyl)-6-(2-methylphenyl)-N-[1-(3-nitrophenyl)ethyl]-2-pyrimidinamine IUPAC Name: 4-(benzimidazol-1-yl)-6-(2-methylphenyl)-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine Traditional Name: [4-(benzimidazol-1-yl)-6-(o-tolyl)pyrimidin-2-yl]-[1-(3-nitrophenyl)ethyl]amine Formula: C26H22N6O2 MolecularWeight: 450.49188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=NC(=N2)NC(C)C3=CC(=CC=C3)[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=NC(=N2)NC(C)C3=CC(=CC=C3)[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H22N6O2/c1-17-8-3-4-11-21(17)23-15-25(31-16-27-22-12-5-6-13-24(22)31)30-26(29-23)28-18(2)19-9-7-10-20(14-19)32(33)34/h3-16,18H,1-2H3,(H,28,29,30)