[1-iodanyl-3-[1-methyl-2,6-bis(oxidanylidene)-3H-purin-7-yl]propan-2-yl] ethanoate

Systemtic Name: [1-iodanyl-3-[1-methyl-2,6-bis(oxidanylidene)-3H-purin-7-yl]propan-2-yl] ethanoate Openeye Name: [1-(iodomethyl)-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)ethyl] acetate CAS Name: acetic acid [1-iodo-3-(1-methyl-2,6-dioxo-3H-purin-7-yl)propan-2-yl] ester IUPAC Name: [1-iodo-3-(1-methyl-2,6-dioxo-3H-purin-7-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-[(2,6-diketo-1-methyl-3H-purin-7-yl)methyl]-2-iodo-ethyl] ester Formula: C11H13IN4O4 MolecularWeight: 392.14979

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1C=NC2=C1C(=O)N(C(=O)N2)C)CI

Isomeric SMILES

CC(=O)OC(CN1C=NC2=C1C(=O)N(C(=O)N2)C)CI

InChI

InChI=1S/C11H13IN4O4/c1-6(17)20-7(3-12)4-16-5-13-9-8(16)10(18)15(2)11(19)14-9/h5,7H,3-4H2,1-2H3,(H,14,19)