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

Systemtic Name: 4-[ethyl(phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(N-ethylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(N-ethylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(N-ethylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(N-ethylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-4-20(12-8-6-5-7-9-12)15-13-10(2)14(17(21)22)23-16(13)19-11(3)18-15/h5-9H,4H2,1-3H3,(H,21,22)