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

Systemtic Name: pentyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: pentyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid pentyl ester IUPAC Name: pentyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid amyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S2/c1-5-6-7-10-26-22(25)16(4)28-21-19-18(12-27-20(19)23-13-24-21)17-9-8-14(2)15(3)11-17/h8-9,11-13,16H,5-7,10H2,1-4H3