[2-(methylamino)-6-(oxidanylamino)purin-9-yl]methyl pentanoate; oxetane

Systemtic Name: [2-(methylamino)-6-(oxidanylamino)purin-9-yl]methyl pentanoate; oxetane Openeye Name: [6-(hydroxyamino)-2-(methylamino)purin-9-yl]methyl pentanoate; oxetane CAS Name: oxetane; pentanoic acid [6-(hydroxyamino)-2-(methylamino)-9-purinyl]methyl ester IUPAC Name: [6-(hydroxyamino)-2-(methylamino)purin-9-yl]methyl pentanoate; oxetane Traditional Name: oxetane; valeric acid [6-(hydroxyamino)-2-(methylamino)purin-9-yl]methyl ester Formula: C15H24N6O4 MolecularWeight: 352.38886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCN1C=NC2=C1N=C(N=C2NO)NC.C1COC1

Isomeric SMILES

CCCCC(=O)OCN1C=NC2=C1N=C(N=C2NO)NC.C1COC1

InChI

InChI=1S/C12H18N6O3.C3H6O/c1-3-4-5-8(19)21-7-18-6-14-9-10(17-20)15-12(13-2)16-11(9)18;1-2-4-3-1/h6,20H,3-5,7H2,1-2H3,(H2,13,15,16,17);1-3H2