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

Systemtic Name: ethyl 5-methyl-4-(2-oxidanylpropylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-hydroxypropylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxypropylamino)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxypropylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxypropylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC(C)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC(C)O)C

InChI

InChI=1S/C20H23N3O3S2/c1-4-26-20(25)17-13(3)16-18(21-10-12(2)24)22-15(23-19(16)28-17)11-27-14-8-6-5-7-9-14/h5-9,12,24H,4,10-11H2,1-3H3,(H,21,22,23)