6-[(4-methoxy-2-methyl-quinolin-6-yl)amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-[(4-methoxy-2-methyl-quinolin-6-yl)amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[(4-methoxy-2-methyl-6-quinolyl)amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-[(4-methoxy-2-methyl-6-quinolinyl)amino]-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 6-[(4-methoxy-2-methylquinolin-6-yl)amino]-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[(4-methoxy-2-methyl-6-quinolyl)amino]-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC3=NC(=NC(=C3)C(=O)O)SC)C(=C1)OC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC3=NC(=NC(=C3)C(=O)O)SC)C(=C1)OC

InChI

InChI=1S/C17H16N4O3S/c1-9-6-14(24-2)11-7-10(4-5-12(11)18-9)19-15-8-13(16(22)23)20-17(21-15)25-3/h4-8H,1-3H3,(H,22,23)(H,19,20,21)