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

Systemtic Name: 4-[3-methyl-4,6-bis(phenylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Openeye Name: 4-[4,6-bis(benzylsulfanyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol CAS Name: 4-[3-methyl-4,6-bis(phenylmethylthio)-1-pyrazolo[3,4-d]pyrimidinyl]-1-butanol IUPAC Name: 4-[4,6-bis(benzylsulfanyl)-3-methylpyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Traditional Name: 4-[4,6-bis(benzylthio)-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)SCC3=CC=CC=C3)SCC4=CC=CC=C4)CCCCO

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)SCC3=CC=CC=C3)SCC4=CC=CC=C4)CCCCO

InChI

InChI=1S/C24H26N4OS2/c1-18-21-22(28(27-18)14-8-9-15-29)25-24(31-17-20-12-6-3-7-13-20)26-23(21)30-16-19-10-4-2-5-11-19/h2-7,10-13,29H,8-9,14-17H2,1H3