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

Systemtic Name: 5-methyl-4-[(4-methyl-2-oxidanyl-phenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2-hydroxy-4-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxy-4-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2-hydroxy-4-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxy-4-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-7-3-4-9(10(19)5-7)18-13-11-8(2)12(15(20)21)22-14(11)17-6-16-13/h3-6,19H,1-2H3,(H,20,21)(H,16,17,18)/p-1