6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2,2-dimethylpropanoate

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2,2-dimethylpropanoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C18H28N4O4/c1-12(26-16(24)18(2,3)4)9-7-8-10-22-15(23)13-14(19-11-20(13)5)21(6)17(22)25/h11-12H,7-10H2,1-6H3