[(1R,2S,4R)-2-acetyloxy-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)cyclohexyl]methyl ethanoate

Systemtic Name: [(1R,2S,4R)-2-acetyloxy-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)cyclohexyl]methyl ethanoate Openeye Name: [(1R,2S,4R)-2-acetoxy-4-(4-amino-2-oxo-pyrimidin-1-yl)cyclohexyl]methyl acetate CAS Name: acetic acid [(1R,2S,4R)-2-acetyloxy-4-(4-amino-2-oxo-1-pyrimidinyl)cyclohexyl]methyl ester IUPAC Name: [(1R,2S,4R)-2-acetyloxy-4-(4-amino-2-oxopyrimidin-1-yl)cyclohexyl]methyl acetate Traditional Name: acetic acid [(1R,2S,4R)-2-acetoxy-4-(4-amino-2-keto-pyrimidin-1-yl)cyclohexyl]methyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCC(CC1OC(=O)C)N2C=CC(=NC2=O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-9(19)22-8-11-3-4-12(7-13(11)23-10(2)20)18-6-5-14(16)17-15(18)21/h5-6,11-13H,3-4,7-8H2,1-2H3,(H2,16,17,21)/t11-,12-,13+/m1/s1