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

Systemtic Name: 6-[(4-azanyl-2-methyl-quinolin-6-yl)amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-[(4-amino-2-methyl-6-quinolyl)amino]-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-[(4-amino-2-methyl-6-quinolinyl)amino]-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 6-[(4-amino-2-methylquinolin-6-yl)amino]-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-[(4-amino-2-methyl-6-quinolyl)amino]-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C16H15N5O2S MolecularWeight: 341.3876

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S/c1-8-5-11(17)10-6-9(3-4-12(10)18-8)19-14-7-13(15(22)23)20-16(21-14)24-2/h3-7H,1-2H3,(H2,17,18)(H,22,23)(H,19,20,21)