butyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: butyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: butyl 2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid butyl ester IUPAC Name: butyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid butyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2O2S2/c1-4-5-10-24-20(23)14(3)26-19-17-16(11-25-18(17)21-12-22-19)15-8-6-13(2)7-9-15/h6-9,11-12,14H,4-5,10H2,1-3H3