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

Systemtic Name: 4-[(4-aminocarbonylphenyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(4-carbamoylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-carbamoylanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(4-carbamoylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-carbamoylanilino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13N4O3S- MolecularWeight: 341.36442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)C(=O)N)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC=C(C=C3)C(=O)N)C)C(=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-7-11-14(20-10-5-3-9(4-6-10)13(17)21)18-8(2)19-15(11)24-12(7)16(22)23/h3-6H,1-2H3,(H2,17,21)(H,22,23)(H,18,19,20)/p-1