4-butylsulfanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-butylsulfanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-butylsulfanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(butylthio)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-butylsulfanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(butylthio)-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine Formula: C15H15ClN4S MolecularWeight: 318.8244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4S/c1-2-3-8-21-15-13-9-19-20(14(13)17-10-18-15)12-6-4-11(16)5-7-12/h4-7,9-10H,2-3,8H2,1H3