6-azanyl-5-chloranyl-2-cyclopropyl-pyrimidine-4-carboxylic acid; 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-5-chloranyl-2-cyclopropyl-pyrimidine-4-carboxylic acid; 2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: 6-amino-5-chloro-2-cyclopropyl-pyrimidine-4-carboxylic acid; 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid; 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: 6-amino-5-chloro-2-cyclopropyl-pyrimidine-4-carboxylic acid; 2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C21H23ClN6O5 MolecularWeight: 474.89752

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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.C1CC1C2=NC(=C(C(=N2)N)Cl)C(=O)O

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C.C1CC1C2=NC(=C(C(=N2)N)Cl)C(=O)O

InChI

InChI=1S/C13H15N3O3.C8H8ClN3O2/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9;9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h4-7H,1-3H3,(H,17,18)(H,15,16,19);3H,1-2H2,(H,13,14)(H2,10,11,12)