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

Systemtic Name: 6-[8-bromanyl-7-(ethoxymethyl)-3-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[8-bromo-7-(ethoxymethyl)-3-methyl-2,6-dioxo-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[8-bromo-7-(ethoxymethyl)-3-methyl-2,6-dioxo-1-purinyl]hexan-2-yl ester IUPAC Name: 6-[8-bromo-7-(ethoxymethyl)-3-methyl-2,6-dioxopurin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[8-bromo-7-(ethoxymethyl)-2,6-diketo-3-methyl-purin-1-yl]-1-methyl-pentyl] ester Formula: C17H25BrN4O5 MolecularWeight: 445.3082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCCCC(C)OC(=O)C)C

Isomeric SMILES

CCOCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCCCC(C)OC(=O)C)C

InChI

InChI=1S/C17H25BrN4O5/c1-5-26-10-22-13-14(19-16(22)18)20(4)17(25)21(15(13)24)9-7-6-8-11(2)27-12(3)23/h11H,5-10H2,1-4H3