[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-azido-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-2-azido-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-2-azido-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-2-azido-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C30H24N6O8 MolecularWeight: 596.54696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N=[N+]=[N-]

InChI

InChI=1S/C30H24N6O8/c31-22-16-17-36(29(40)33-22)25-23(42-27(38)20-12-6-2-7-13-20)24(43-28(39)21-14-8-3-9-15-21)30(44-25,34-35-32)18-41-26(37)19-10-4-1-5-11-19/h1-17,23-25H,18H2,(H2,31,33,40)