[2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-iodanylbenzoate

Systemtic Name: [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 2-iodanylbenzoate Openeye Name: [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C15H14IN3O5 MolecularWeight: 443.19323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2I)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC=CC=C2I)N

InChI

InChI=1S/C15H14IN3O5/c1-18-12(17)11(13(21)19(2)15(18)23)10(20)7-24-14(22)8-5-3-4-6-9(8)16/h3-6H,7,17H2,1-2H3