N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C19H21N5O3S/c1-3-24(9-13-10-26-15-6-4-5-7-16(15)27-13)17(25)11-28-19-14-8-22-23(2)18(14)20-12-21-19/h4-8,12-13H,3,9-11H2,1-2H3