methyl 3-(5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Openeye Name: methyl 3-[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 3-[[5-phenyl-2-(2-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate Traditional Name: 3-[[5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidin-4-yl]thio]propionic acid methyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=NC2=C1C(=CS2)C3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)CCSC1=NC(=NC2=C1C(=CS2)C3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H17N3O2S2/c1-26-17(25)10-12-27-20-18-15(14-7-3-2-4-8-14)13-28-21(18)24-19(23-20)16-9-5-6-11-22-16/h2-9,11,13H,10,12H2,1H3