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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H17N5O3S/c27-19(25-14-6-7-17-18(10-14)29-9-8-28-17)12-30-21-16-11-24-26(20(16)22-13-23-21)15-4-2-1-3-5-15/h1-7,10-11,13H,8-9,12H2,(H,25,27)