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

Systemtic Name: 4-[(2,6-dimethylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(2,6-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,6-dimethylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(2,6-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2,6-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-8-5-4-6-9(2)12(8)19-14-11-10(3)13(16(20)21)22-15(11)18-7-17-14/h4-7H,1-3H3,(H,20,21)(H,17,18,19)/p-1