4-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine

Systemtic Name: 4-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine Openeye Name: N-[(1S)-1-(3-nitrophenyl)ethyl]-4-(o-tolyl)-6-[5-(4-pyridyl)benzimidazol-1-yl]pyrimidin-2-amine CAS Name: 4-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethyl]-6-(5-pyridin-4-yl-1-benzimidazolyl)-2-pyrimidinamine IUPAC Name: 4-(2-methylphenyl)-N-[(1S)-1-(3-nitrophenyl)ethyl]-6-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-amine Traditional Name: [(1S)-1-(3-nitrophenyl)ethyl]-[4-(o-tolyl)-6-[5-(4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C31H25N7O2 MolecularWeight: 527.5759

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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=C4C=CC(=C5)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=NC(=N2)N[C@@H](C)C3=CC(=CC=C3)[N+](=O)[O-])N4C=NC5=C4C=CC(=C5)C6=CC=NC=C6

InChI

InChI=1S/C31H25N7O2/c1-20-6-3-4-9-26(20)27-18-30(36-31(35-27)34-21(2)23-7-5-8-25(16-23)38(39)40)37-19-33-28-17-24(10-11-29(28)37)22-12-14-32-15-13-22/h3-19,21H,1-2H3,(H,34,35,36)/t21-/m0/s1