N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-tert-butyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-tert-butyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-17(2,3)21-14(23)10-24-16-13-9-20-22(15(13)18-11-19-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,21,23)