[5-[5-[(E)-4-acetyloxybut-1-enyl]-4-azanyl-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate

Systemtic Name: [5-[5-[(E)-4-acetyloxybut-1-enyl]-4-azanyl-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-[5-[(E)-4-acetoxybut-1-enyl]-4-amino-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[5-[(E)-4-acetyloxybut-1-enyl]-4-amino-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-[5-[(E)-4-acetyloxybut-1-enyl]-4-amino-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[5-[(E)-4-acetoxybut-1-enyl]-4-amino-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC=CC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)OCC/C=C/C1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H25N3O7/c1-14(26)30-10-6-5-9-16-12-25(22(29)24-20(16)23)19-11-17(27)18(32-19)13-31-21(28)15-7-3-2-4-8-15/h2-5,7-9,12,17-19,27H,6,10-11,13H2,1H3,(H2,23,24,29)/b9-5+