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

Systemtic Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]methyl]benzoic acid Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H16N2O2S2/c1-13-2-6-15(7-3-13)17-11-27-20-18(17)19(22-12-23-20)26-10-14-4-8-16(9-5-14)21(24)25/h2-9,11-12H,10H2,1H3,(H,24,25)