[1-bromanyl-11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-10-(3,7-dimethyl-2,6-dioxo-purin-1-yl)decyl] acetate CAS Name: acetic acid [1-bromo-11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecan-2-yl] ester IUPAC Name: [1-bromo-11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-10-(2,6-diketo-3,7-dimethyl-purin-1-yl)decyl] ester Formula: C20H31BrN4O4 MolecularWeight: 471.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C20H31BrN4O4/c1-15(26)29-16(13-21)11-9-7-5-4-6-8-10-12-25-19(27)17-18(22-14-23(17)2)24(3)20(25)28/h14,16H,4-13H2,1-3H3