N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-imidazol-1-yl)pyrimidin-5-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-imidazol-1-yl)pyrimidin-5-yl]-2,4-dinitro-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-imidazol-1-yl)pyrimidin-5-yl]-2,4-dinitro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-1-imidazolyl)-5-pyrimidinyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methylimidazol-1-yl)pyrimidin-5-yl]-2,4-dinitrobenzamide Traditional Name: N-[2-(2-ethyl-4-methyl-imidazol-1-yl)-4-(piperonylamino)pyrimidin-5-yl]-2,4-dinitro-benzamide Formula: C25H22N8O7 MolecularWeight: 546.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)NC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC1=NC(=CN1C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)NC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C25H22N8O7/c1-3-22-28-14(2)12-31(22)25-27-11-18(23(30-25)26-10-15-4-7-20-21(8-15)40-13-39-20)29-24(34)17-6-5-16(32(35)36)9-19(17)33(37)38/h4-9,11-12H,3,10,13H2,1-2H3,(H,29,34)(H,26,27,30)