2-[(6-ethanimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide; ethanol; 5-ethyl-1H-imidazole; zinc

Systemtic Name: 2-[(6-ethanimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide; ethanol; 5-ethyl-1H-imidazole; zinc Openeye Name: 2-[(6-ethanimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamidine; ethanol; 5-ethyl-1H-imidazole; zinc CAS Name: ethanol; 5-ethyl-1H-imidazole; 2-[[6-(1-iminoethyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide; zinc IUPAC Name: 2-[(6-ethanimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide; ethanol; 5-ethyl-1H-imidazole; zinc Traditional Name: 2-[(6-acetimidoyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamidine; ethanol; 5-ethyl-1H-imidazole; zinc Formula: C25H31N9OZn MolecularWeight: 538.98234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=CN1.CCO.CC(=N)C1=CC2=C(C=C1)N=C(N2)CC3=NC4=C(N3)C=C(C=C4)C(=N)N.[Zn]

Isomeric SMILES

CCC1=CN=CN1.CCO.CC(=N)C1=CC2=C(C=C1)N=C(N2)CC3=NC4=C(N3)C=C(C=C4)C(=N)N.[Zn]

InChI

InChI=1S/C18H17N7.C5H8N2.C2H6O.Zn/c1-9(19)10-2-4-12-14(6-10)24-16(22-12)8-17-23-13-5-3-11(18(20)21)7-15(13)25-17;1-2-5-3-6-4-7-5;1-2-3;/h2-7,19H,8H2,1H3,(H3,20,21)(H,22,24)(H,23,25);3-4H,2H2,1H3,(H,6,7);3H,2H2,1H3;