[(2R,3S,5S)-3-acetyloxy-5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5S)-3-acetyloxy-5-(4-azanyl-5-iodanyl-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5S)-3-acetoxy-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5S)-3-acetyloxy-5-(4-amino-5-iodo-2-oxo-1-pyrimidinyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,5S)-3-acetyloxy-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5S)-3-acetoxy-5-(4-amino-5-iodo-2-keto-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C14H18IN3O6 MolecularWeight: 451.21369

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(CO1)N2C=C(C(=NC2=O)N)I)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@@H](CO1)N2C=C(C(=NC2=O)N)I)OC(=O)C

InChI

InChI=1S/C14H18IN3O6/c1-7(19)22-6-12-11(24-8(2)20)3-9(5-23-12)18-4-10(15)13(16)17-14(18)21/h4,9,11-12H,3,5-6H2,1-2H3,(H2,16,17,21)/t9-,11-,12+/m0/s1