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

Systemtic Name: 3-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Openeye Name: 3-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate CAS Name: 3-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanoate IUPAC Name: 3-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]propionate Formula: C16H13N2O2S2- MolecularWeight: 329.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCCC(=O)[O-]

InChI

InChI=1S/C16H14N2O2S2/c1-10-17-15(21-8-7-14(19)20)12-9-13(22-16(12)18-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,19,20)/p-1