[1-bromanyl-17-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]heptadecan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-17-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]heptadecan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-16-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexadecyl] acetate CAS Name: acetic acid [1-bromo-17-(3,7-dimethyl-2,6-dioxo-1-purinyl)heptadecan-2-yl] ester IUPAC Name: [1-bromo-17-(3,7-dimethyl-2,6-dioxopurin-1-yl)heptadecan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-16-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexadecyl] ester Formula: C26H43BrN4O4 MolecularWeight: 555.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C26H43BrN4O4/c1-21(32)35-22(19-27)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31-25(33)23-24(28-20-29(23)2)30(3)26(31)34/h20,22H,4-19H2,1-3H3