[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 12-azidododecanoate

Systemtic Name: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl 12-azidododecanoate Openeye Name: [3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 12-azidododecanoate CAS Name: 12-azidododecanoic acid [3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 12-azidododecanoate Traditional Name: 12-azidolauric acid [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C22H35N5O6 MolecularWeight: 465.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCCCCCCCCCCN=[N+]=[N-])O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCCCCCCCCCCN=[N+]=[N-])O

InChI

InChI=1S/C22H35N5O6/c1-16-14-27(22(31)25-21(16)30)19-13-17(28)18(33-19)15-32-20(29)11-9-7-5-3-2-4-6-8-10-12-24-26-23/h14,17-19,28H,2-13,15H2,1H3,(H,25,30,31)