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

Systemtic Name: [2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-azido-5-(hydroxymethyl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [2-(4-amino-2-oxo-pyrimidin-1-yl)-5-azido-4-benzoyloxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [2-(4-amino-2-oxo-1-pyrimidinyl)-5-azido-4-benzoyloxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [2-(4-amino-2-oxopyrimidin-1-yl)-5-azido-4-benzoyloxy-5-(hydroxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [2-(4-amino-2-keto-pyrimidin-1-yl)-5-azido-4-benzoyloxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C23H20N6O7 MolecularWeight: 492.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(OC2N3C=CC(=NC3=O)N)(CO)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(C(OC2N3C=CC(=NC3=O)N)(CO)N=[N+]=[N-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N6O7/c24-16-11-12-29(22(33)26-16)19-17(34-20(31)14-7-3-1-4-8-14)18(23(13-30,36-19)27-28-25)35-21(32)15-9-5-2-6-10-15/h1-12,17-19,30H,13H2,(H2,24,26,33)