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

Systemtic Name: phenethyl 4-[(3-chloranyl-2-methyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-(3-chloro-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloro-2-methylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-chloro-2-methylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloro-2-methyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H20ClN3O2S MolecularWeight: 437.9418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H20ClN3O2S/c1-14-17(24)9-6-10-18(14)27-21-19-15(2)20(30-22(19)26-13-25-21)23(28)29-12-11-16-7-4-3-5-8-16/h3-10,13H,11-12H2,1-2H3,(H,25,26,27)