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

Systemtic Name: pentyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: pentyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid amyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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