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

Systemtic Name: 5-methyl-4-[methyl(phenyl)amino]-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-(N-methylanilino)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(N-methylanilino)-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-(N-methylanilino)-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(N-methylanilino)-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H16N3O2S- MolecularWeight: 374.43564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H17N3O2S/c1-13-16-19(24(2)15-11-7-4-8-12-15)22-18(14-9-5-3-6-10-14)23-20(16)27-17(13)21(25)26/h3-12H,1-2H3,(H,25,26)/p-1