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

Systemtic Name: 2,5-dimethyl-4-[(4-methyl-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-hydroxy-4-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxy-4-methylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-hydroxy-4-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxy-4-methyl-anilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H14N3O3S- MolecularWeight: 328.36566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-7-4-5-10(11(20)6-7)19-14-12-8(2)13(16(21)22)23-15(12)18-9(3)17-14/h4-6,20H,1-3H3,(H,21,22)(H,17,18,19)/p-1