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

Systemtic Name: 6-[[4-(dimethylamino)-2-methyl-quinolin-6-yl]amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[[4-(dimethylamino)-2-methyl-6-quinolyl]amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-[[4-(dimethylamino)-2-methyl-6-quinolinyl]amino]-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 6-[[4-(dimethylamino)-2-methylquinolin-6-yl]amino]-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[[4-(dimethylamino)-2-methyl-6-quinolyl]amino]-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C18H19N5O2S MolecularWeight: 369.44076

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-10-7-15(23(2)3)12-8-11(5-6-13(12)19-10)20-16-9-14(17(24)25)21-18(22-16)26-4/h5-9H,1-4H3,(H,24,25)(H,20,21,22)