2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoic acid Openeye Name: 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetic acid Formula: C15H12N2O2S2 MolecularWeight: 316.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN=C2SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(S1)N=CN=C2SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O2S2/c1-9-12(10-5-3-2-4-6-10)13-14(20-7-11(18)19)16-8-17-15(13)21-9/h2-6,8H,7H2,1H3,(H,18,19)