1-(azepan-1-yl)-2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(2-hydroxyethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]ethanone Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3CCO

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3CCO

InChI

InChI=1S/C15H21N5O2S/c21-8-7-20-14-12(9-18-20)15(17-11-16-14)23-10-13(22)19-5-3-1-2-4-6-19/h9,11,21H,1-8,10H2