2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine

Systemtic Name: 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine Openeye Name: 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine CAS Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid; 2-propanamine IUPAC Name: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine Traditional Name: isopropylamine; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C.CC(C)N

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C.CC(C)N

InChI

InChI=1S/C13H15N3O3.C3H9N/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;1-3(2)4/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,4H2,1-2H3