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

Systemtic Name: [5-[4-azanyl-5-(4-cyano-2-methyl-butyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl benzoate Openeye Name: [5-[4-amino-5-(4-cyano-2-methyl-butyl)-2-oxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-[4-amino-5-(4-cyano-2-methylbutyl)-2-oxo-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4-amino-5-(4-cyano-2-methylbutyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-[4-amino-5-(4-cyano-2-methyl-butyl)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-14(6-5-9-23)10-16-12-26(22(29)25-20(16)24)19-11-17(27)18(31-19)13-30-21(28)15-7-3-2-4-8-15/h2-4,7-8,12,14,17-19,27H,5-6,10-11,13H2,1H3,(H2,24,25,29)