4-[[4-(chloromethyl)phenyl]methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[[4-(chloromethyl)phenyl]methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[[4-(chloromethyl)phenyl]methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[4-(chloromethyl)phenyl]methylthio]-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[[4-(chloromethyl)phenyl]methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[4-(chloromethyl)benzyl]thio]-1H-pyrazolo[3,4-d]pyrimidine Formula: C13H11ClN4S MolecularWeight: 290.77124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3)CCl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3)CCl

InChI

InChI=1S/C13H11ClN4S/c14-5-9-1-3-10(4-2-9)7-19-13-11-6-17-18-12(11)15-8-16-13/h1-4,6,8H,5,7H2,(H,15,16,17,18)