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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C24H26N6O2S/c31-20(28-23(32)29-24-9-15-6-16(10-24)8-17(7-15)11-24)13-33-22-19-12-27-30(21(19)25-14-26-22)18-4-2-1-3-5-18/h1-5,12,14-17H,6-11,13H2,(H2,28,29,31,32)