[3-methyl-2,6-bis(oxidanylidene)-1-(10-oxidanylundecyl)purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-1-(10-oxidanylundecyl)purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: [1-(10-hydroxyundecyl)-3-methyl-2,6-dioxo-purin-7-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-(10-hydroxyundecyl)-3-methyl-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-(10-hydroxyundecyl)-3-methyl-2,6-dioxopurin-7-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(10-hydroxyundecyl)-2,6-diketo-3-methyl-purin-7-yl]methyl ester Formula: C23H38N4O5 MolecularWeight: 450.57162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCN1C(=O)C2=C(N=CN2COC(=O)C(C)(C)C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCCCCN1C(=O)C2=C(N=CN2COC(=O)C(C)(C)C)N(C1=O)C)O

InChI

InChI=1S/C23H38N4O5/c1-17(28)13-11-9-7-6-8-10-12-14-27-20(29)18-19(25(5)22(27)31)24-15-26(18)16-32-21(30)23(2,3)4/h15,17,28H,6-14,16H2,1-5H3