4-heptylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-heptylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-heptylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(heptylthio)-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-heptylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(heptylthio)-1H-pyrazolo[3,4-d]pyrimidine Formula: C12H18N4S MolecularWeight: 250.36312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC=NC2=C1C=NN2

Isomeric SMILES

CCCCCCCSC1=NC=NC2=C1C=NN2

InChI

InChI=1S/C12H18N4S/c1-2-3-4-5-6-7-17-12-10-8-15-16-11(10)13-9-14-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)