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

Systemtic Name: [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 12-iodanyldodecanoate Openeye Name: [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 12-iodododecanoate CAS Name: 12-iodododecanoic acid [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 12-iodododecanoate Traditional Name: 12-iodolauric acid [3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C22H34IN5O5 MolecularWeight: 575.44033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34IN5O5/c1-16-14-28(22(31)25-21(16)30)19-13-17(26-27-24)18(33-19)15-32-20(29)11-9-7-5-3-2-4-6-8-10-12-23/h14,17-19H,2-13,15H2,1H3,(H,25,30,31)