(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-azanylhexanoate

Systemtic Name: (4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-azanylhexanoate Openeye Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-aminohexanoate CAS Name: 2-aminohexanoic acid (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester IUPAC Name: (4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl 2-aminohexanoate Traditional Name: 2-aminohexanoic acid (4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl ester Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCN1C2=NC=NC(=O)C2=CN1)N

Isomeric SMILES

CCCCC(C(=O)OCN1C2=NC=NC(=O)C2=CN1)N

InChI

InChI=1S/C12H17N5O3/c1-2-3-4-9(13)12(19)20-7-17-10-8(5-16-17)11(18)15-6-14-10/h5-6,9,16H,2-4,7,13H2,1H3