[1-bromanyl-10-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]decan-2-yl] ethanoate

Systemtic Name: [1-bromanyl-10-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]decan-2-yl] ethanoate Openeye Name: [1-(bromomethyl)-9-(3,7-dimethyl-2,6-dioxo-purin-8-yl)nonyl] acetate CAS Name: acetic acid [1-bromo-10-(3,7-dimethyl-2,6-dioxo-8-purinyl)decan-2-yl] ester IUPAC Name: [1-bromo-10-(3,7-dimethyl-2,6-dioxopurin-8-yl)decan-2-yl] acetate Traditional Name: acetic acid [1-(bromomethyl)-9-(2,6-diketo-3,7-dimethyl-purin-8-yl)nonyl] ester Formula: C19H29BrN4O4 MolecularWeight: 457.36196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCCCCCC1=NC2=C(N1C)C(=O)NC(=O)N2C)CBr

Isomeric SMILES

CC(=O)OC(CCCCCCCCC1=NC2=C(N1C)C(=O)NC(=O)N2C)CBr

InChI

InChI=1S/C19H29BrN4O4/c1-13(25)28-14(12-20)10-8-6-4-5-7-9-11-15-21-17-16(23(15)2)18(26)22-19(27)24(17)3/h14H,4-12H2,1-3H3,(H,22,26,27)