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

Systemtic Name: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: 3-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 3-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoate IUPAC Name: 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionate Formula: C16H13N2O2S2- MolecularWeight: 329.41662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCCC(=O)[O-]

InChI

InChI=1S/C16H14N2O2S2/c1-10-2-4-11(5-3-10)12-8-22-16-14(12)15(17-9-18-16)21-7-6-13(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)/p-1