[2-azido-5-(4-nitroso-2H-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl octanoate

Systemtic Name: [2-azido-5-(4-nitroso-2H-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl octanoate Openeye Name: [2-azido-3,4-dihydroxy-5-(4-nitroso-2H-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl octanoate CAS Name: octanoic acid [2-azido-3,4-dihydroxy-5-(4-nitroso-2H-pyrimidin-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [2-azido-3,4-dihydroxy-5-(4-nitroso-2H-pyrimidin-1-yl)oxolan-2-yl]methyl octanoate Traditional Name: caprylic acid [2-azido-3,4-dihydroxy-5-(4-nitroso-2H-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H26N6O6 MolecularWeight: 410.42494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1(C(C(C(O1)N2CN=C(C=C2)N=O)O)O)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCC(=O)OCC1(C(C(C(O1)N2CN=C(C=C2)N=O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C17H26N6O6/c1-2-3-4-5-6-7-13(24)28-10-17(21-22-18)15(26)14(25)16(29-17)23-9-8-12(20-27)19-11-23/h8-9,14-16,25-26H,2-7,10-11H2,1H3