N-(1-adamantylcarbamoyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC(=O)C5=CNN(C5=N4)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC(=O)C5=CNN(C5=N4)C6=CC=CC=C6

InChI

InChI=1S/C24H26N6O3S/c31-19(26-22(33)29-24-9-14-6-15(10-24)8-16(7-14)11-24)13-34-23-27-20-18(21(32)28-23)12-25-30(20)17-4-2-1-3-5-17/h1-5,12,14-16,25H,6-11,13H2,(H2,26,29,31,33)