ethyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate

Systemtic Name: ethyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate Openeye Name: ethyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]butyric acid ethyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S2/c1-5-16(20(23)24-6-2)26-19-17-15(10-25-18(17)21-11-22-19)14-8-7-12(3)13(4)9-14/h7-11,16H,5-6H2,1-4H3