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

Systemtic Name: N,N-diethyl-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N,N-diethyl-acetamide CAS Name: N,N-diethyl-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N,N-diethylacetamide Traditional Name: 2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N,N-diethyl-acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-3-22(4-2)16(24)12-25-18-15-10-21-23(17(15)19-13-20-18)11-14-8-6-5-7-9-14/h5-10,13H,3-4,11-12H2,1-2H3