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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NC2=C1C(=CS2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC(=NC2=C1C(=CS2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-2-26-17(25)13-28-21-18-16(14-7-4-3-5-8-14)12-27-20(18)23-19(24-21)15-9-6-10-22-11-15/h3-12H,2,13H2,1H3