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

Systemtic Name: [5-[4-azanyl-5-(4-methoxy-4-oxidanylidene-butyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-[4-amino-5-(4-methoxy-4-oxo-butyl)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[4-amino-5-(4-methoxy-4-oxobutyl)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4-amino-5-(4-methoxy-4-oxobutyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[4-amino-2-keto-5-(4-keto-4-methoxy-butyl)pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)CCCC1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25N3O7/c1-29-18(26)9-5-8-14-11-24(21(28)23-19(14)22)17-10-15(25)16(31-17)12-30-20(27)13-6-3-2-4-7-13/h2-4,6-7,11,15-17,25H,5,8-10,12H2,1H3,(H2,22,23,28)