N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NC4=C3C=NN4C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC=NC4=C3C=NN4C)OCO2

InChI

InChI=1S/C17H15N5O4S/c1-9(23)10-3-13-14(26-8-25-13)4-12(10)21-15(24)6-27-17-11-5-20-22(2)16(11)18-7-19-17/h3-5,7H,6,8H2,1-2H3,(H,21,24)