ethyl 5-azanyl-4-(4-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(4-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(4-chlorophenyl)-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(4-chlorophenyl)-2-[(2-ethoxy-2-oxoethyl)thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(4-chlorophenyl)-2-(2-ethoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(4-chlorophenyl)-2-[(2-ethoxy-2-keto-ethyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18ClN3O4S2 MolecularWeight: 451.94692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O4S2/c1-3-26-12(24)9-28-19-22-15(10-5-7-11(20)8-6-10)13-14(21)16(18(25)27-4-2)29-17(13)23-19/h5-8H,3-4,9,21H2,1-2H3