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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C25H29N5OS/c1-16(25-10-17-7-18(11-25)9-19(8-17)12-25)29-22(31)14-32-24-21-13-28-30(23(21)26-15-27-24)20-5-3-2-4-6-20/h2-6,13,15-19H,7-12,14H2,1H3,(H,29,31)