3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-oxidanyl-methoxy]propyl octanoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-oxidanyl-methoxy]propyl octanoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-hydroxy-methoxy]propyl octanoate CAS Name: octanoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-hydroxymethoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-hydroxymethoxy]propyl octanoate Traditional Name: caprylic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-hydroxy-methoxy]propyl ester Formula: C17H29N5O5 MolecularWeight: 383.44266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)O

Isomeric SMILES

CCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)O

InChI

InChI=1S/C17H29N5O5/c1-2-3-4-5-6-8-12(23)26-9-7-10-27-17(25)22-11-19-13-14(22)20-16(18)21-15(13)24/h17,19,25H,2-11H2,1H3,(H3,18,20,21,24)