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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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