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

Systemtic Name: 6-[8-bromanyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-(8-bromo-3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-(8-bromo-3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(8-bromo-2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C15H21BrN4O4 MolecularWeight: 401.25564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C15H21BrN4O4/c1-9(24-10(2)21)7-5-6-8-20-13(22)11-12(19(4)15(20)23)17-14(16)18(11)3/h9H,5-8H2,1-4H3