[1-bromanyl-9-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]nonan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-9-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]nonan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-8-(3,7-dimethyl-2,6-dioxo-purin-1-yl)octyl] acetate CAS Name: acetic acid [1-bromo-9-(3,7-dimethyl-2,6-dioxo-1-purinyl)nonan-2-yl] ester IUPAC Name: [1-bromo-9-(3,7-dimethyl-2,6-dioxopurin-1-yl)nonan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-8-(2,6-diketo-3,7-dimethyl-purin-1-yl)octyl] ester Formula: C18H27BrN4O4 MolecularWeight: 443.33538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C18H27BrN4O4/c1-13(24)27-14(11-19)9-7-5-4-6-8-10-23-17(25)15-16(20-12-21(15)2)22(3)18(23)26/h12,14H,4-11H2,1-3H3