2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[1-(2-hydroxyethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C=NN3CCO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2C=NN3CCO

InChI

InChI=1S/C16H17N5O2S/c22-7-6-21-15-13(9-20-21)16(19-11-18-15)24-10-14(23)17-8-12-4-2-1-3-5-12/h1-5,9,11,22H,6-8,10H2,(H,17,23)