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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C20H26N6O2S/c1-11(29-18-15-9-23-26(2)16(15)21-10-22-18)17(27)24-19(28)25-20-6-12-3-13(7-20)5-14(4-12)8-20/h9-14H,3-8H2,1-2H3,(H2,24,25,27,28)