phenyl N-heptyl-N-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]carbamate

Systemtic Name: phenyl N-heptyl-N-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]carbamate Openeye Name: phenyl N-heptyl-N-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]carbamate CAS Name: N-heptyl-N-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)pentyl]carbamic acid phenyl ester IUPAC Name: phenyl N-heptyl-N-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)pentyl]carbamate Traditional Name: N-heptyl-N-[5-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)pentyl]carbamic acid phenyl ester Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCSC1=NC=NC2=C1C=NN2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(CCCCCSC1=NC=NC2=C1C=NN2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C24H33N5O2S/c1-2-3-4-5-10-15-29(24(30)31-20-13-8-6-9-14-20)16-11-7-12-17-32-23-21-18-27-28-22(21)25-19-26-23/h6,8-9,13-14,18-19H,2-5,7,10-12,15-17H2,1H3,(H,25,26,27,28)