5-(furan-2-yl)-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-3-phenyl-2-(3-pyridylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-3-phenyl-2-(3-pyridinylmethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(furan-2-yl)-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-3-phenyl-2-(3-pyridylmethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C22H15N3O2S2 MolecularWeight: 417.5034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CN=CC=C4)SC=C3C5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CN=CC=C4)SC=C3C5=CC=CO5

InChI

InChI=1S/C22H15N3O2S2/c26-21-19-17(18-9-5-11-27-18)14-28-20(19)24-22(25(21)16-7-2-1-3-8-16)29-13-15-6-4-10-23-12-15/h1-12,14H,13H2