[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-1-octoxy-undecan-2-yl] ethanoate

Systemtic Name: [11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-1-octoxy-undecan-2-yl] ethanoate Openeye Name: [10-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-(octoxymethyl)decyl] acetate CAS Name: acetic acid [11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-octoxyundecan-2-yl] ester IUPAC Name: [11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-1-octoxyundecan-2-yl] acetate Traditional Name: acetic acid [10-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-(octoxymethyl)decyl] ester Formula: C28H48N4O5 MolecularWeight: 520.70452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCOCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C28H48N4O5/c1-5-6-7-8-14-17-20-36-21-24(37-23(2)33)18-15-12-10-9-11-13-16-19-32-27(34)25-26(29-22-30(25)3)31(4)28(32)35/h22,24H,5-21H2,1-4H3