2-[6-(2-methylpropanoylamino)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[6-(2-methylpropanoylamino)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[6-(2-methylpropanoylamino)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid CAS Name: 2-[6-[(2-methyl-1-oxopropyl)amino]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid IUPAC Name: 2-[6-(2-methylpropanoylamino)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid Traditional Name: 2-[6-(isobutyrylamino)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid Formula: C11H13N5O4 MolecularWeight: 279.25202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=CNN(C2=N1)CC(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=CNN(C2=N1)CC(=O)O

InChI

InChI=1S/C11H13N5O4/c1-5(2)9(19)14-11-13-8-6(10(20)15-11)3-12-16(8)4-7(17)18/h3,5,12H,4H2,1-2H3,(H,17,18)(H,14,15,19,20)