N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O3S/c1-27(13-16-7-8-19-20(11-16)31-10-9-30-19)21(29)14-32-23-18-12-26-28(22(18)24-15-25-23)17-5-3-2-4-6-17/h2-8,11-12,15H,9-10,13-14H2,1H3