5-methyl-4-(phenethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-(phenethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-(phenethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-(phenethylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-(phenethylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-(phenethylamino)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C23H21N3O2S2 MolecularWeight: 435.56174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCC3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H21N3O2S2/c1-15-19-21(24-13-12-16-8-4-2-5-9-16)25-18(14-29-17-10-6-3-7-11-17)26-22(19)30-20(15)23(27)28/h2-11H,12-14H2,1H3,(H,27,28)(H,24,25,26)