[(2S,5R)-5-[2-oxidanylidene-4-(pyridin-3-ylcarbonylamino)pyrimidin-1-yl]oxolan-2-yl]methyl pyridine-3-carboxylate

Systemtic Name: [(2S,5R)-5-[2-oxidanylidene-4-(pyridin-3-ylcarbonylamino)pyrimidin-1-yl]oxolan-2-yl]methyl pyridine-3-carboxylate Openeye Name: [(2S,5R)-5-[2-oxo-4-(pyridine-3-carbonylamino)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2S,5R)-5-[2-oxo-4-[[oxo(3-pyridinyl)methyl]amino]-1-pyrimidinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2S,5R)-5-[2-oxo-4-(pyridine-3-carbonylamino)pyrimidin-1-yl]oxolan-2-yl]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [(2S,5R)-5-(2-keto-4-nicotinamido-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COC(=O)C2=CN=CC=C2)N3C=CC(=NC3=O)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](O[C@@H]1COC(=O)C2=CN=CC=C2)N3C=CC(=NC3=O)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5O5/c27-19(14-3-1-8-22-11-14)24-17-7-10-26(21(29)25-17)18-6-5-16(31-18)13-30-20(28)15-4-2-9-23-12-15/h1-4,7-12,16,18H,5-6,13H2,(H,24,25,27,29)/t16-,18+/m0/s1