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

Systemtic Name: 4-[1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-amine Openeye Name: 4-[1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-amine CAS Name: 4-[1-[2-[1-(3-nitrophenyl)ethylamino]-4-pyrimidinyl]-5-benzimidazolyl]-2-pyrimidinamine IUPAC Name: 4-[1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-5-yl]pyrimidin-2-amine Traditional Name: [4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]-[1-(3-nitrophenyl)ethyl]amine Formula: C23H19N9O2 MolecularWeight: 453.45606

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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=NC(=NC=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C23H19N9O2/c1-14(15-3-2-4-17(11-15)32(33)34)28-23-26-10-8-21(30-23)31-13-27-19-12-16(5-6-20(19)31)18-7-9-25-22(24)29-18/h2-14H,1H3,(H2,24,25,29)(H,26,28,30)