pentyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: pentyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: pentyl 2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid amyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC(=O)CSC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)C

InChI

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