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

Systemtic Name: 6-[7-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl]hexan-2-yl ethanoate Openeye Name: [1-methyl-5-(7-methyl-2,6-dioxo-3H-purin-1-yl)pentyl] acetate CAS Name: acetic acid 6-(7-methyl-2,6-dioxo-3H-purin-1-yl)hexan-2-yl ester IUPAC Name: 6-(7-methyl-2,6-dioxo-3H-purin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(2,6-diketo-7-methyl-3H-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(NC1=O)N=CN2C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(NC1=O)N=CN2C)OC(=O)C

InChI

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