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

Systemtic Name: [11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-1-[ethanoyl(octyl)amino]undecan-2-yl] ethanoate Openeye Name: [1-[[acetyl(octyl)amino]methyl]-10-(3,7-dimethyl-2,6-dioxo-purin-1-yl)decyl] acetate CAS Name: acetic acid [1-[acetyl(octyl)amino]-11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecan-2-yl] ester IUPAC Name: [1-[acetyl(octyl)amino]-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate Traditional Name: acetic acid [1-[[acetyl(octyl)amino]methyl]-10-(2,6-diketo-3,7-dimethyl-purin-1-yl)decyl] ester Formula: C30H51N5O5 MolecularWeight: 561.75644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCCN(CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C)C(=O)C

InChI

InChI=1S/C30H51N5O5/c1-6-7-8-9-14-17-20-34(24(2)36)22-26(40-25(3)37)19-16-13-11-10-12-15-18-21-35-29(38)27-28(31-23-32(27)4)33(5)30(35)39/h23,26H,6-22H2,1-5H3