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

Systemtic Name: N-(1-adamantyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C24H27N5OS/c1-15(22(30)28-24-10-16-7-17(11-24)9-18(8-16)12-24)31-23-20-13-27-29(21(20)25-14-26-23)19-5-3-2-4-6-19/h2-6,13-18H,7-12H2,1H3,(H,28,30)