1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(1-adamantyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C19H24N4OS/c1-11(25-18-15-9-22-23(2)17(15)20-10-21-18)16(24)19-6-12-3-13(7-19)5-14(4-12)8-19/h9-14H,3-8H2,1-2H3