4-[4,6-bis(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol

Systemtic Name: 4-[4,6-bis(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Openeye Name: 4-[4,6-bis(benzylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol CAS Name: 4-[4,6-bis(phenylmethylthio)-1-pyrazolo[3,4-d]pyrimidinyl]-1-butanol IUPAC Name: 4-[4,6-bis(benzylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Traditional Name: 4-[4,6-bis(benzylthio)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2C=NN3CCCCO)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2C=NN3CCCCO)SCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS2/c28-14-8-7-13-27-21-20(15-24-27)22(29-16-18-9-3-1-4-10-18)26-23(25-21)30-17-19-11-5-2-6-12-19/h1-6,9-12,15,28H,7-8,13-14,16-17H2