N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H20N6O3/c1-3-12(2)21-18(27)22-15(25)10-23-11-19-16-14(17(23)26)9-20-24(16)13-7-5-4-6-8-13/h4-9,11-12H,3,10H2,1-2H3,(H2,21,22,25,27)/t12-/m0/s1