N-(4-acetamidophenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2S/c1-15(29)26-17-7-9-18(10-8-17)27-20(30)13-31-22-19-11-25-28(21(19)23-14-24-22)12-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3,(H,26,29)(H,27,30)