9-[1-[4-[1-(6-oxidanylidene-3H-purin-9-yl)ethoxy]butoxy]ethyl]-3H-purin-6-one

Systemtic Name: 9-[1-[4-[1-(6-oxidanylidene-3H-purin-9-yl)ethoxy]butoxy]ethyl]-3H-purin-6-one Openeye Name: 9-[1-[4-[1-(6-oxo-3H-purin-9-yl)ethoxy]butoxy]ethyl]-3H-purin-6-one CAS Name: 9-[1-[4-[1-(6-oxo-3H-purin-9-yl)ethoxy]butoxy]ethyl]-3H-purin-6-one IUPAC Name: 9-[1-[4-[1-(6-oxo-3H-purin-9-yl)ethoxy]butoxy]ethyl]-3H-purin-6-one Traditional Name: 9-[1-[4-[1-(6-keto-3H-purin-9-yl)ethoxy]butoxy]ethyl]-3H-purin-6-one Formula: C18H22N8O4 MolecularWeight: 414.41848

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1NC=NC2=O)OCCCCOC(C)N3C=NC4=C3NC=NC4=O

Isomeric SMILES

CC(N1C=NC2=C1NC=NC2=O)OCCCCOC(C)N3C=NC4=C3NC=NC4=O

InChI

InChI=1S/C18H22N8O4/c1-11(25-9-23-13-15(25)19-7-21-17(13)27)29-5-3-4-6-30-12(2)26-10-24-14-16(26)20-8-22-18(14)28/h7-12H,3-6H2,1-2H3,(H,19,21,27)(H,20,22,28)