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

Systemtic Name: [2-bromanyl-9-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2,6-dimethyl-nonan-3-yl] ethanoate Openeye Name: [1-(1-bromo-1-methyl-ethyl)-7-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-4-methyl-heptyl] acetate CAS Name: acetic acid [2-bromo-9-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2,6-dimethylnonan-3-yl] ester IUPAC Name: [2-bromo-9-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2,6-dimethylnonan-3-yl] acetate Traditional Name: acetic acid [1-(1-bromo-1-methyl-ethyl)-7-(2,6-diketo-3,7-dimethyl-purin-1-yl)-4-methyl-heptyl] ester Formula: C20H31BrN4O4 MolecularWeight: 471.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CCC(C(C)(C)Br)OC(=O)C

Isomeric SMILES

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CCC(C(C)(C)Br)OC(=O)C

InChI

InChI=1S/C20H31BrN4O4/c1-13(9-10-15(20(3,4)21)29-14(2)26)8-7-11-25-18(27)16-17(22-12-23(16)5)24(6)19(25)28/h12-13,15H,7-11H2,1-6H3