2-[[4,6-bis(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol

Systemtic Name: 2-[[4,6-bis(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol Openeye Name: 2-[[4,6-bis(benzylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol CAS Name: 2-[[4,6-bis(phenylmethylthio)-1-pyrazolo[3,4-d]pyrimidinyl]methoxy]ethanol IUPAC Name: 2-[[4,6-bis(benzylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol Traditional Name: 2-[[4,6-bis(benzylthio)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethanol Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC3=C2C=NN3COCCO)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC3=C2C=NN3COCCO)SCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c27-11-12-28-16-26-20-19(13-23-26)21(29-14-17-7-3-1-4-8-17)25-22(24-20)30-15-18-9-5-2-6-10-18/h1-10,13,27H,11-12,14-16H2