6-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]hexan-2-yl ethanoate Openeye Name: [1-methyl-5-(3-methyl-2,6-dioxo-7H-purin-1-yl)pentyl] acetate CAS Name: acetic acid 6-(3-methyl-2,6-dioxo-7H-purin-1-yl)hexan-2-yl ester IUPAC Name: 6-(3-methyl-2,6-dioxo-7H-purin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(2,6-diketo-3-methyl-7H-purin-1-yl)-1-methyl-pentyl] ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C14H20N4O4/c1-9(22-10(2)19)6-4-5-7-18-13(20)11-12(16-8-15-11)17(3)14(18)21/h8-9H,4-7H2,1-3H3,(H,15,16)