2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid

Systemtic Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid Openeye Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]butanoic acid IUPAC Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]butyric acid Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S2/c1-4-14(18(21)22)24-17-15-13(8-23-16(15)19-9-20-17)12-6-5-10(2)11(3)7-12/h5-9,14H,4H2,1-3H3,(H,21,22)