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

Systemtic Name: (2S)-N-(2-methylpropylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(isobutylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(2-methylpropylamino)-oxomethyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(2-methylpropylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(isobutylcarbamoyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NC=NC2=C1C=NN2C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC(C)C)SC1=NC=NC2=C1C=NN2C

InChI

InChI=1S/C14H20N6O2S/c1-8(2)5-15-14(22)19-12(21)9(3)23-13-10-6-18-20(4)11(10)16-7-17-13/h6-9H,5H2,1-4H3,(H2,15,19,21,22)/t9-/m0/s1