[(2R,7R)-7-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,4-dioxepan-2-yl]methyl ethanoate

Systemtic Name: [(2R,7R)-7-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,4-dioxepan-2-yl]methyl ethanoate Openeye Name: [(2R,7R)-7-(4-amino-2-oxo-pyrimidin-1-yl)-1,4-dioxepan-2-yl]methyl acetate CAS Name: acetic acid [(2R,7R)-7-(4-amino-2-oxo-1-pyrimidinyl)-1,4-dioxepan-2-yl]methyl ester IUPAC Name: [(2R,7R)-7-(4-amino-2-oxopyrimidin-1-yl)-1,4-dioxepan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,7R)-7-(4-amino-2-keto-pyrimidin-1-yl)-1,4-dioxepan-2-yl]methyl ester Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1COCCC(O1)N2C=CC(=NC2=O)N

Isomeric SMILES

CC(=O)OC[C@H]1COCC[C@@H](O1)N2C=CC(=NC2=O)N

InChI

InChI=1S/C12H17N3O5/c1-8(16)19-7-9-6-18-5-3-11(20-9)15-4-2-10(13)14-12(15)17/h2,4,9,11H,3,5-7H2,1H3,(H2,13,14,17)/t9-,11-/m1/s1