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

Systemtic Name: 4-[ethyl-(3-methylphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(N-ethyl-3-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(N-ethyl-3-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(N-ethyl-3-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(N-ethyl-3-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C18H19N3O2S/c1-5-21(13-8-6-7-10(2)9-13)16-14-11(3)15(18(22)23)24-17(14)20-12(4)19-16/h6-9H,5H2,1-4H3,(H,22,23)