1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine

Systemtic Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine Openeye Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine CAS Name: 1-[2-[1-(3-nitrophenyl)ethylamino]-4-pyrimidinyl]-N-(2-pyrrolidinylmethyl)-5-benzimidazolamine IUPAC Name: 1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]-N-(pyrrolidin-2-ylmethyl)benzimidazol-5-amine Traditional Name: 1-(3-nitrophenyl)ethyl-[4-[5-(pyrrolidin-2-ylmethylamino)benzimidazol-1-yl]pyrimidin-2-yl]amine Formula: C24H26N8O2 MolecularWeight: 458.51564

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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)NCC5CCCN5

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5CCCN5

InChI

InChI=1S/C24H26N8O2/c1-16(17-4-2-6-20(12-17)32(33)34)29-24-26-11-9-23(30-24)31-15-28-21-13-18(7-8-22(21)31)27-14-19-5-3-10-25-19/h2,4,6-9,11-13,15-16,19,25,27H,3,5,10,14H2,1H3,(H,26,29,30)