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

Systemtic Name: 4-[(2-ethyl-6-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-ethyl-6-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-ethyl-6-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-ethyl-6-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-ethyl-6-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C)C

InChI

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