methyl 5-hexyl-3-[(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: methyl 5-hexyl-3-[(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: methyl 5-hexyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]triazole-4-carboxylate CAS Name: 5-hexyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-hexyl-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]triazole-4-carboxylate Traditional Name: 3-[(2S,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-5-hexyl-triazole-4-carboxylic acid methyl ester Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(N=N1)C2CC(OC2CO)N3C=C(C(=O)NC3=O)C)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(N(N=N1)[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C(=O)NC3=O)C)C(=O)OC

InChI

InChI=1S/C20H29N5O6/c1-4-5-6-7-8-13-17(19(28)30-3)25(23-22-13)14-9-16(31-15(14)11-26)24-10-12(2)18(27)21-20(24)29/h10,14-16,26H,4-9,11H2,1-3H3,(H,21,27,29)/t14-,15+,16+/m0/s1