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

Systemtic Name: [(1R,2S,4R)-2-acetyloxy-4-[2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]cyclohexyl]methyl ethanoate Openeye Name: [(1R,2S,4R)-2-acetoxy-4-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]cyclohexyl]methyl acetate CAS Name: acetic acid [(1R,2S,4R)-2-acetyloxy-4-[2-oxo-4-(1,2,4-triazol-1-yl)-1-pyrimidinyl]cyclohexyl]methyl ester IUPAC Name: [(1R,2S,4R)-2-acetyloxy-4-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]cyclohexyl]methyl acetate Traditional Name: acetic acid [(1R,2S,4R)-2-acetoxy-4-[2-keto-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]cyclohexyl]methyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCC(CC1OC(=O)C)N2C=CC(=NC2=O)N3C=NC=N3

Isomeric SMILES

CC(=O)OC[C@H]1CC[C@H](C[C@@H]1OC(=O)C)N2C=CC(=NC2=O)N3C=NC=N3

InChI

InChI=1S/C17H21N5O5/c1-11(23)26-8-13-3-4-14(7-15(13)27-12(2)24)21-6-5-16(20-17(21)25)22-10-18-9-19-22/h5-6,9-10,13-15H,3-4,7-8H2,1-2H3/t13-,14-,15+/m1/s1