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

Systemtic Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetic acid Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)O)C

InChI

InChI=1S/C16H14N2O2S2/c1-9-3-4-11(5-10(9)2)12-6-21-15-14(12)16(18-8-17-15)22-7-13(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)