[2-chloranyl-6-(oxidanylamino)purin-9-yl]methyl heptanoate

Systemtic Name: [2-chloranyl-6-(oxidanylamino)purin-9-yl]methyl heptanoate Openeye Name: [2-chloro-6-(hydroxyamino)purin-9-yl]methyl heptanoate CAS Name: heptanoic acid [2-chloro-6-(hydroxyamino)-9-purinyl]methyl ester IUPAC Name: [2-chloro-6-(hydroxyamino)purin-9-yl]methyl heptanoate Traditional Name: enanthic acid [2-chloro-6-(hydroxyamino)purin-9-yl]methyl ester Formula: C13H18ClN5O3 MolecularWeight: 327.76672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCN1C=NC2=C1N=C(N=C2NO)Cl

Isomeric SMILES

CCCCCCC(=O)OCN1C=NC2=C1N=C(N=C2NO)Cl

InChI

InChI=1S/C13H18ClN5O3/c1-2-3-4-5-6-9(20)22-8-19-7-15-10-11(18-21)16-13(14)17-12(10)19/h7,21H,2-6,8H2,1H3,(H,16,17,18)