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

Systemtic Name: 2-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-methyl-5-(p-tolyl)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=CC=C(C=C1)C2=CSC3=C2C(=NC(=N3)C)SCC(=O)O

Isomeric SMILES

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

InChI

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