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

Systemtic Name: N-(3-ethanoylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-2-phenyl-acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C22H19N5O2S/c1-14(28)16-9-6-10-17(11-16)26-21(29)19(15-7-4-3-5-8-15)30-22-18-12-25-27(2)20(18)23-13-24-22/h3-13,19H,1-2H3,(H,26,29)