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

Systemtic Name: [1-bromanyl-7-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]heptan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexyl] acetate CAS Name: acetic acid [1-bromo-7-(3,7-dimethyl-2,6-dioxo-1-purinyl)heptan-2-yl] ester IUPAC Name: [1-bromo-7-(3,7-dimethyl-2,6-dioxopurin-1-yl)heptan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-6-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexyl] ester Formula: C16H23BrN4O4 MolecularWeight: 415.28222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CBr

InChI

InChI=1S/C16H23BrN4O4/c1-11(22)25-12(9-17)7-5-4-6-8-21-15(23)13-14(18-10-19(13)2)20(3)16(21)24/h10,12H,4-9H2,1-3H3