[5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-methoxybenzoate

Systemtic Name: [5-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-hydroxy-5-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-hydroxy-5-(5-iodo-2,4-diketo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H17IN2O7 MolecularWeight: 488.23055

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)I)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)I)O

InChI

InChI=1S/C17H17IN2O7/c1-25-10-4-2-9(3-5-10)16(23)26-8-13-12(21)6-14(27-13)20-7-11(18)15(22)19-17(20)24/h2-5,7,12-14,21H,6,8H2,1H3,(H,19,22,24)