[5-(2-azanylpropanoyloxymethyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-azanylpropanoate

Systemtic Name: [5-(2-azanylpropanoyloxymethyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-azanylpropanoate Openeye Name: [5-(2-aminopropanoyloxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-aminopropanoate CAS Name: 2-aminopropanoic acid [5-[(2-amino-1-oxopropoxy)methyl]-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester IUPAC Name: [5-(2-aminopropanoyloxymethyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl 2-aminopropanoate Traditional Name: 2-aminopropionic acid [5-(alanyloxymethyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-5-ium-2-yl]methyl ester Formula: C13H19N6O5+ MolecularWeight: 339.32716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCN1C=C2C(=NC=[N+](C2=O)COC(=O)C(C)N)N1)N

Isomeric SMILES

CC(C(=O)OCN1C=C2C(=NC=[N+](C2=O)COC(=O)C(C)N)N1)N

InChI

InChI=1S/C13H18N6O5/c1-7(14)12(21)23-5-18-4-16-10-9(11(18)20)3-19(17-10)6-24-13(22)8(2)15/h3-4,7-8H,5-6,14-15H2,1-2H3/p+1