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

Systemtic Name: pentyl 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S2/c1-4-5-6-11-25-21(24)15(3)27-20-18-17(12-26-19(18)22-13-23-20)16-9-7-14(2)8-10-16/h7-10,12-13,15H,4-6,11H2,1-3H3