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

Systemtic Name: pentyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: pentyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid amyl ester Formula: C20H21ClN2O2S2 MolecularWeight: 420.97594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O2S2/c1-3-4-5-10-25-20(24)13(2)27-19-17-16(11-26-18(17)22-12-23-19)14-6-8-15(21)9-7-14/h6-9,11-13H,3-5,10H2,1-2H3