[1-bromanyl-12-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]dodecan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-12-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]dodecan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecyl] acetate CAS Name: acetic acid [1-bromo-12-(3,7-dimethyl-2,6-dioxo-1-purinyl)dodecan-2-yl] ester IUPAC Name: [1-bromo-12-(3,7-dimethyl-2,6-dioxopurin-1-yl)dodecan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecyl] ester Formula: C21H33BrN4O4 MolecularWeight: 485.41512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C21H33BrN4O4/c1-16(27)30-17(14-22)12-10-8-6-4-5-7-9-11-13-26-20(28)18-19(23-15-24(18)2)25(3)21(26)29/h15,17H,4-14H2,1-3H3