phenethyl 5-methyl-4-[(4-piperidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-[(4-piperidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-[4-(1-piperidyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(1-piperidinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-piperidinoanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H28N4O2S MolecularWeight: 472.60182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCCCC4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)N4CCCCC4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S/c1-19-23-25(30-21-10-12-22(13-11-21)31-15-6-3-7-16-31)28-18-29-26(23)34-24(19)27(32)33-17-14-20-8-4-2-5-9-20/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,28,29,30)