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

Systemtic Name: [2-chloranyl-6-(oxidanylamino)purin-9-yl]methyl heptanoate; oxetane Openeye Name: [2-chloro-6-(hydroxyamino)purin-9-yl]methyl heptanoate; oxetane CAS Name: heptanoic acid [2-chloro-6-(hydroxyamino)-9-purinyl]methyl ester; oxetane IUPAC Name: [2-chloro-6-(hydroxyamino)purin-9-yl]methyl heptanoate; oxetane Traditional Name: enanthic acid [2-chloro-6-(hydroxyamino)purin-9-yl]methyl ester; oxetane Formula: C16H24ClN5O4 MolecularWeight: 385.84586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCN1C=NC2=C1N=C(N=C2NO)Cl.C1COC1

Isomeric SMILES

CCCCCCC(=O)OCN1C=NC2=C1N=C(N=C2NO)Cl.C1COC1

InChI

InChI=1S/C13H18ClN5O3.C3H6O/c1-2-3-4-5-6-9(20)22-8-19-7-15-10-11(18-21)16-13(14)17-12(10)19;1-2-4-3-1/h7,21H,2-6,8H2,1H3,(H,16,17,18);1-3H2