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

Systemtic Name: 6-[1,7-dimethyl-2,6-bis(oxidanylidene)purin-3-yl]hexan-2-yl ethanoate Openeye Name: [5-(1,7-dimethyl-2,6-dioxo-purin-3-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-(1,7-dimethyl-2,6-dioxo-3-purinyl)hexan-2-yl ester IUPAC Name: 6-(1,7-dimethyl-2,6-dioxopurin-3-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(2,6-diketo-1,7-dimethyl-purin-3-yl)-1-methyl-pentyl] ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C)OC(=O)C

InChI

InChI=1S/C15H22N4O4/c1-10(23-11(2)20)7-5-6-8-19-13-12(17(3)9-16-13)14(21)18(4)15(19)22/h9-10H,5-8H2,1-4H3