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

Systemtic Name: [5-[2,4-bis(oxidanylidene)-5-phenylazanyl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-(5-anilino-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(5-anilino-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(5-anilino-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(5-anilino-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C(=O)NC2=O)NC3=CC=CC=C3)COC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(OC1N2C=C(C(=O)NC2=O)NC3=CC=CC=C3)COC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C22H21N3O6/c26-17-11-19(31-18(17)13-30-21(28)14-7-3-1-4-8-14)25-12-16(20(27)24-22(25)29)23-15-9-5-2-6-10-15/h1-10,12,17-19,23,26H,11,13H2,(H,24,27,29)