4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]-N-[(1S)-1-(3-nitrophenyl)ethyl]pyrimidin-2-amine

Systemtic Name: 4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]-N-[(1S)-1-(3-nitrophenyl)ethyl]pyrimidin-2-amine Openeye Name: 4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]-N-[(1S)-1-(3-nitrophenyl)ethyl]pyrimidin-2-amine CAS Name: 4-[5-(2-amino-4-pyridinyl)-1-benzimidazolyl]-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-pyrimidinamine IUPAC Name: 4-[5-(2-aminopyridin-4-yl)benzimidazol-1-yl]-N-[(1S)-1-(3-nitrophenyl)ethyl]pyrimidin-2-amine Traditional Name: [4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]-[(1S)-1-(3-nitrophenyl)ethyl]amine Formula: C24H20N8O2 MolecularWeight: 452.468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)N

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)N

InChI

InChI=1S/C24H20N8O2/c1-15(16-3-2-4-19(11-16)32(33)34)29-24-27-10-8-23(30-24)31-14-28-20-12-17(5-6-21(20)31)18-7-9-26-22(25)13-18/h2-15H,1H3,(H2,25,26)(H,27,29,30)/t15-/m0/s1