4-[5-(4-azanyl-3-nitro-phenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine

Systemtic Name: 4-[5-(4-azanyl-3-nitro-phenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine Openeye Name: 4-[5-(4-amino-3-nitro-phenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine CAS Name: 4-[5-(4-amino-3-nitrophenyl)-1-benzimidazolyl]-N-(1-phenylethyl)-2-pyrimidinamine IUPAC Name: 4-[5-(4-amino-3-nitrophenyl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine Traditional Name: [4-[5-(4-amino-3-nitro-phenyl)benzimidazol-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N7O2/c1-16(17-5-3-2-4-6-17)29-25-27-12-11-24(30-25)31-15-28-21-13-18(8-10-22(21)31)19-7-9-20(26)23(14-19)32(33)34/h2-16H,26H2,1H3,(H,27,29,30)