6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-3H-benzimidazole-4-carbonitrile; ethanoic acid

Systemtic Name: 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-3H-benzimidazole-4-carbonitrile; ethanoic acid Openeye Name: acetic acid; 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-3H-benzimidazole-4-carbonitrile CAS Name: acetic acid; 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-3H-benzimidazole-4-carbonitrile IUPAC Name: acetic acid; 6-(4,5-dihydro-1H-imidazol-2-ylamino)-7-methyl-3H-benzimidazole-4-carbonitrile Traditional Name: acetic acid; 6-(2-imidazolin-2-ylamino)-7-methyl-3H-benzimidazole-4-carbonitrile Formula: C14H16N6O2 MolecularWeight: 300.31584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1N=CN2)C#N)NC3=NCCN3.CC(=O)O

Isomeric SMILES

CC1=C(C=C(C2=C1N=CN2)C#N)NC3=NCCN3.CC(=O)O

InChI

InChI=1S/C12H12N6.C2H4O2/c1-7-9(18-12-14-2-3-15-12)4-8(5-13)11-10(7)16-6-17-11;1-2(3)4/h4,6H,2-3H2,1H3,(H,16,17)(H2,14,15,18);1H3,(H,3,4)