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

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

Systemtic Name:[5-[5-(4-acetyloxybutyl)-4-azanyl-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate
Openeye Name:[5-[5-(4-acetoxybutyl)-4-amino-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate
CAS Name:benzoic acid [5-[5-(4-acetyloxybutyl)-4-amino-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester
IUPAC Name:[5-[5-(4-acetyloxybutyl)-4-amino-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl benzoate
Traditional Name:benzoic acid [5-[5-(4-acetoxybutyl)-4-amino-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester
Formula: C22H27N3O7
MolecularWeight: 445.46568
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O


Isomeric SMILES

CC(=O)OCCCCC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O


InChI

InChI=1S/C22H27N3O7/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/h2-4,7-8,12,17-19,27H,5-6,9-11,13H2,1H3,(H2,23,24,29)


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