ethyl 4-(butan-2-ylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(butan-2-ylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(sec-butylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(butan-2-ylamino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butan-2-ylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-[(phenylthio)methyl]-4-(sec-butylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC(C)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O2S2/c1-5-13(3)22-19-17-14(4)18(21(25)26-6-2)28-20(17)24-16(23-19)12-27-15-10-8-7-9-11-15/h7-11,13H,5-6,12H2,1-4H3,(H,22,23,24)