[3-acetyloxy-5-[5-ethynyl-2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-[5-ethynyl-2-oxidanylidene-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-5-[5-ethynyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3-acetyloxy-5-[5-ethynyl-2-oxo-4-(1,2,4-triazol-1-yl)-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [3-acetyloxy-5-[5-ethynyl-2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-5-[5-ethynyl-2-keto-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl ester Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)N2C=C(C(=NC2=O)N3C=NC=N3)C#C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(CC(O1)N2C=C(C(=NC2=O)N3C=NC=N3)C#C)OC(=O)C

InChI

InChI=1S/C17H17N5O6/c1-4-12-6-21(17(25)20-16(12)22-9-18-8-19-22)15-5-13(27-11(3)24)14(28-15)7-26-10(2)23/h1,6,8-9,13-15H,5,7H2,2-3H3