1-methyl-4-[2-(phenylsulfinyl)ethylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[2-(phenylsulfinyl)ethylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(benzenesulfinyl)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(benzenesulfinyl)ethylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(benzenesulfinyl)ethylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(benzenesulfinyl)ethylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H14N4OS2 MolecularWeight: 318.41716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCS(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCS(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H14N4OS2/c1-18-13-12(9-17-18)14(16-10-15-13)20-7-8-21(19)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3