N-(3-methylbutyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-isopentyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-isoamyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C13H19N5OS MolecularWeight: 293.38786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC=NC2=C1C=NN2C

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC=NC2=C1C=NN2C

InChI

InChI=1S/C13H19N5OS/c1-9(2)4-5-14-11(19)7-20-13-10-6-17-18(3)12(10)15-8-16-13/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)