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

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-methoxy-5-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-methoxy-5-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-methoxy-5-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-methoxy-5-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H16N3O3S- MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C3C(=C(SC3=NC(=N2)C)C(=O)[O-])C

InChI

InChI=1S/C17H17N3O3S/c1-8-5-6-12(23-4)11(7-8)20-15-13-9(2)14(17(21)22)24-16(13)19-10(3)18-15/h5-7H,1-4H3,(H,21,22)(H,18,19,20)/p-1