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

Systemtic Name: [5-[4-azanyl-5-(3-methoxy-3-oxidanylidene-propyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-[4-amino-5-(3-methoxy-3-oxo-propyl)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[4-amino-5-(3-methoxy-3-oxopropyl)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4-amino-5-(3-methoxy-3-oxopropyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[4-amino-2-keto-5-(3-keto-3-methoxy-propyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CCC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H23N3O7/c1-28-17(25)8-7-13-10-23(20(27)22-18(13)21)16-9-14(24)15(30-16)11-29-19(26)12-5-3-2-4-6-12/h2-6,10,14-16,24H,7-9,11H2,1H3,(H2,21,22,27)