N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 2-(2-furfurylthio)ethyl-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCSCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCSCC4=CC=CO4

InChI

InChI=1S/C18H17N5OS/c1-2-5-14(6-3-1)23-18-16(11-22-23)17(20-13-21-18)19-8-10-25-12-15-7-4-9-24-15/h1-7,9,11,13H,8,10,12H2,(H,19,20,21)