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

Systemtic Name: methyl 2-[8-bromanyl-1-(2-methoxy-2-oxidanylidene-ethyl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-[8-bromo-1-(2-methoxy-2-oxo-ethyl)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-bromo-1-(2-methoxy-2-oxoethyl)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-bromo-2,6-diketo-1-(2-keto-2-methoxy-ethyl)-3-methyl-purin-7-yl]acetic acid methyl ester Formula: C12H13BrN4O6 MolecularWeight: 389.15882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC(=O)OC

InChI

InChI=1S/C12H13BrN4O6/c1-15-9-8(16(11(13)14-9)4-6(18)22-2)10(20)17(12(15)21)5-7(19)23-3/h4-5H2,1-3H3