oxetane; [2-(oxidanylamino)purin-9-yl]methyl octanoate

Systemtic Name: oxetane; [2-(oxidanylamino)purin-9-yl]methyl octanoate Openeye Name: [2-(hydroxyamino)purin-9-yl]methyl octanoate; oxetane CAS Name: octanoic acid [2-(hydroxyamino)-9-purinyl]methyl ester; oxetane IUPAC Name: [2-(hydroxyamino)purin-9-yl]methyl octanoate; oxetane Traditional Name: caprylic acid [2-(hydroxyamino)purin-9-yl]methyl ester; oxetane Formula: C17H27N5O4 MolecularWeight: 365.42738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCN1C=NC2=CN=C(N=C21)NO.C1COC1

Isomeric SMILES

CCCCCCCC(=O)OCN1C=NC2=CN=C(N=C21)NO.C1COC1

InChI

InChI=1S/C14H21N5O3.C3H6O/c1-2-3-4-5-6-7-12(20)22-10-19-9-16-11-8-15-14(18-21)17-13(11)19;1-2-4-3-1/h8-9,21H,2-7,10H2,1H3,(H,15,17,18);1-3H2