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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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