3-azido-6-[4-(methylamino)-2-oxidanylidene-pyrimidin-1-yl]-4,5-bis(phenylcarbonyloxy)oxane-2-carboxylic acid

Systemtic Name: 3-azido-6-[4-(methylamino)-2-oxidanylidene-pyrimidin-1-yl]-4,5-bis(phenylcarbonyloxy)oxane-2-carboxylic acid Openeye Name: 3-azido-4,5-dibenzoyloxy-6-[4-(methylamino)-2-oxo-pyrimidin-1-yl]tetrahydropyran-2-carboxylic acid CAS Name: 3-azido-4,5-dibenzoyloxy-6-[4-(methylamino)-2-oxo-1-pyrimidinyl]-2-oxanecarboxylic acid IUPAC Name: 3-azido-4,5-dibenzoyloxy-6-[4-(methylamino)-2-oxopyrimidin-1-yl]oxane-2-carboxylic acid Traditional Name: 3-azido-4,5-dibenzoyloxy-6-[2-keto-4-(methylamino)pyrimidin-1-yl]tetrahydropyran-2-carboxylic acid Formula: C25H22N6O8 MolecularWeight: 534.47758

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)N(C=C1)C2C(C(C(C(O2)C(=O)O)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CNC1=NC(=O)N(C=C1)C2C(C(C(C(O2)C(=O)O)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N6O8/c1-27-16-12-13-31(25(36)28-16)21-20(39-24(35)15-10-6-3-7-11-15)18(17(29-30-26)19(37-21)22(32)33)38-23(34)14-8-4-2-5-9-14/h2-13,17-21H,1H3,(H,32,33)(H,27,28,36)