[1-bromanyl-10-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]decan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-10-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]decan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-9-(3,7-dimethyl-2,6-dioxo-purin-1-yl)nonyl] acetate CAS Name: acetic acid [1-bromo-10-(3,7-dimethyl-2,6-dioxo-1-purinyl)decan-2-yl] ester IUPAC Name: [1-bromo-10-(3,7-dimethyl-2,6-dioxopurin-1-yl)decan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-9-(2,6-diketo-3,7-dimethyl-purin-1-yl)nonyl] ester Formula: C19H29BrN4O4 MolecularWeight: 457.36196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C19H29BrN4O4/c1-14(25)28-15(12-20)10-8-6-4-5-7-9-11-24-18(26)16-17(21-13-22(16)2)23(3)19(24)27/h13,15H,4-12H2,1-3H3