2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)ethylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)ethylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[2-(benzofuro[3,2-d]pyrimidin-4-ylamino)ethylsulfanylmethyl]benzonitrile CAS Name: 2-[[2-(4-benzofuro[3,2-d]pyrimidinylamino)ethylthio]methyl]benzonitrile IUPAC Name: 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)ethylsulfanylmethyl]benzonitrile Traditional Name: 2-[[2-(benzofuro[3,2-d]pyrimidin-4-ylamino)ethylthio]methyl]benzonitrile Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC2=NC=NC3=C2OC4=CC=CC=C43)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC2=NC=NC3=C2OC4=CC=CC=C43)C#N

InChI

InChI=1S/C20H16N4OS/c21-11-14-5-1-2-6-15(14)12-26-10-9-22-20-19-18(23-13-24-20)16-7-3-4-8-17(16)25-19/h1-8,13H,9-10,12H2,(H,22,23,24)