4-azanyl-1-[3,3-bis(fluoranyl)-5-methyl-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one diphosphate

Systemtic Name: 4-azanyl-1-[3,3-bis(fluoranyl)-5-methyl-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one diphosphate Openeye Name: 4-amino-1-(3,3-difluoro-4-hydroxy-5-methyl-tetrahydrofuran-2-yl)pyrimidin-2-one diphosphate CAS Name: 4-amino-1-(3,3-difluoro-4-hydroxy-5-methyl-2-oxolanyl)-2-pyrimidinone diphosphate IUPAC Name: 4-amino-1-(3,3-difluoro-4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one diphosphate Traditional Name: 4-amino-1-(3,3-difluoro-4-hydroxy-5-methyl-tetrahydrofuran-2-yl)pyrimidin-2-one diphosphate Formula: C9H11F2N3O11P2-6 MolecularWeight: 437.141468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C9H11F2N3O3.2H3O4P/c1-4-6(15)9(10,11)7(17-4)14-3-2-5(12)13-8(14)16;2*1-5(2,3)4/h2-4,6-7,15H,1H3,(H2,12,13,16);2*(H3,1,2,3,4)/p-6