4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H17FN4O2S MolecularWeight: 372.416583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C18H17FN4O2S/c1-11-14-16(20-10-21-17(14)26-15(11)18(24)25)23-8-6-22(7-9-23)13-4-2-12(19)3-5-13/h2-5,10H,6-9H2,1H3,(H,24,25)