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

Systemtic Name: 4-[(2-ethyl-6-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-ethyl-6-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-ethyl-6-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-ethyl-6-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-ethyl-6-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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