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

Systemtic Name: [1-bromanyl-6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)pentyl] acetate CAS Name: acetic acid [1-bromo-6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl] ester IUPAC Name: [1-bromo-6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-5-(2,6-diketo-3,7-dimethyl-purin-1-yl)pentyl] ester Formula: C15H21BrN4O4 MolecularWeight: 401.25564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN4O4/c1-10(21)24-11(8-16)6-4-5-7-20-14(22)12-13(17-9-18(12)2)19(3)15(20)23/h9,11H,4-8H2,1-3H3