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

Systemtic Name: [5-[5-ethynyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 4-methoxybenzoate Openeye Name: [5-(5-ethynyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [5-(5-ethynyl-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-ethynyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [5-(5-ethynyl-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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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)C#C)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7/c1-3-11-9-21(19(25)20-17(11)23)16-8-14(22)15(28-16)10-27-18(24)12-4-6-13(26-2)7-5-12/h1,4-7,9,14-16,22H,8,10H2,2H3,(H,20,23,25)