[1-bromanyl-14-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tetradecan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-14-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]tetradecan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-13-(3,7-dimethyl-2,6-dioxo-purin-1-yl)tridecyl] acetate CAS Name: acetic acid [1-bromo-14-(3,7-dimethyl-2,6-dioxo-1-purinyl)tetradecan-2-yl] ester IUPAC Name: [1-bromo-14-(3,7-dimethyl-2,6-dioxopurin-1-yl)tetradecan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-13-(2,6-diketo-3,7-dimethyl-purin-1-yl)tridecyl] ester Formula: C23H37BrN4O4 MolecularWeight: 513.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C23H37BrN4O4/c1-18(29)32-19(16-24)14-12-10-8-6-4-5-7-9-11-13-15-28-22(30)20-21(25-17-26(20)2)27(3)23(28)31/h17,19H,4-16H2,1-3H3