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

Systemtic Name: 6-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)-7H-purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-(8-bromo-3-methyl-2,6-dioxo-7H-purin-1-yl)-1-methyl-pentyl] acetate CAS Name: acetic acid 6-(8-bromo-3-methyl-2,6-dioxo-7H-purin-1-yl)hexan-2-yl ester IUPAC Name: 6-(8-bromo-3-methyl-2,6-dioxo-7H-purin-1-yl)hexan-2-yl acetate Traditional Name: acetic acid [5-(8-bromo-2,6-diketo-3-methyl-7H-purin-1-yl)-1-methyl-pentyl] ester Formula: C14H19BrN4O4 MolecularWeight: 387.22906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)Br)N(C1=O)C)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)Br)N(C1=O)C)OC(=O)C

InChI

InChI=1S/C14H19BrN4O4/c1-8(23-9(2)20)6-4-5-7-19-12(21)10-11(17-13(15)16-10)18(3)14(19)22/h8H,4-7H2,1-3H3,(H,16,17)