(4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate CAS Name: 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]-4-triazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-(hydroxymethyl)-1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4-carboxylate Traditional Name: 1-[(2S,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-5-methylol-triazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C21H22N6O9 MolecularWeight: 502.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C(=C(N=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CO

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CO

InChI

InChI=1S/C21H22N6O9/c1-11-7-25(21(32)22-19(11)30)17-6-14(16(9-29)36-17)26-15(8-28)18(23-24-26)20(31)35-10-12-2-4-13(5-3-12)27(33)34/h2-5,7,14,16-17,28-29H,6,8-10H2,1H3,(H,22,30,32)/t14-,16+,17+/m0/s1