2,5-dimethyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[(3-methylsulfanylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[3-(methylthio)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-(3-methylsulfanylanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-[3-(methylthio)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)SC)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC(=CC=C3)SC)C)C(=O)O

InChI

InChI=1S/C16H15N3O2S2/c1-8-12-14(19-10-5-4-6-11(7-10)22-3)17-9(2)18-15(12)23-13(8)16(20)21/h4-7H,1-3H3,(H,20,21)(H,17,18,19)