2-(pyridin-2-ylsulfanylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(pyridin-2-ylsulfanylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-(2-pyridylsulfanylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[(2-pyridinylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-(pyridin-2-ylsulfanylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-pyridylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CSC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CSC4=CC=CC=N4

InChI

InChI=1S/C16H11N3O2S/c20-16-15-14(10-5-1-2-6-11(10)21-15)18-12(19-16)9-22-13-7-3-4-8-17-13/h1-8H,9H2,(H,18,19,20)