[1-bromanyl-8-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]octan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-8-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]octan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-7-(3,7-dimethyl-2,6-dioxo-purin-1-yl)heptyl] acetate CAS Name: acetic acid [1-bromo-8-(3,7-dimethyl-2,6-dioxo-1-purinyl)octan-2-yl] ester IUPAC Name: [1-bromo-8-(3,7-dimethyl-2,6-dioxopurin-1-yl)octan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-7-(2,6-diketo-3,7-dimethyl-purin-1-yl)heptyl] ester Formula: C17H25BrN4O4 MolecularWeight: 429.3088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C17H25BrN4O4/c1-12(23)26-13(10-18)8-6-4-5-7-9-22-16(24)14-15(19-11-20(14)2)21(3)17(22)25/h11,13H,4-10H2,1-3H3