[5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)-6-propanoyl-oxan-4-yl] benzoate

Systemtic Name: [5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(phenylcarbonyloxy)-6-propanoyl-oxan-4-yl] benzoate Openeye Name: [5-azido-3-benzoyloxy-2-(2,4-dioxopyrimidin-1-yl)-6-propanoyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [5-azido-3-benzoyloxy-2-(2,4-dioxo-1-pyrimidinyl)-6-(1-oxopropyl)-4-oxanyl] ester IUPAC Name: [5-azido-3-benzoyloxy-2-(2,4-dioxopyrimidin-1-yl)-6-propanoyloxan-4-yl] benzoate Traditional Name: benzoic acid [5-azido-3-benzoyloxy-2-(2,4-diketopyrimidin-1-yl)-6-propionyl-tetrahydropyran-4-yl] ester Formula: C26H23N5O8 MolecularWeight: 533.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CCC(=O)C1C(C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C26H23N5O8/c1-2-17(32)20-19(29-30-27)21(38-24(34)15-9-5-3-6-10-15)22(39-25(35)16-11-7-4-8-12-16)23(37-20)31-14-13-18(33)28-26(31)36/h3-14,19-23H,2H2,1H3,(H,28,33,36)