[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] benzoate

Systemtic Name: [[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] benzoate Openeye Name: [[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] benzoate CAS Name: benzoic acid [[5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] ester IUPAC Name: [[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] benzoate Traditional Name: benzoic acid [[5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester Formula: C16H18N3O9P MolecularWeight: 427.302581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O

InChI

InChI=1S/C16H18N3O9P/c17-11-6-7-19(16(23)18-11)14-13(21)12(20)10(27-14)8-26-29(24,25)28-15(22)9-4-2-1-3-5-9/h1-7,10,12-14,20-21H,8H2,(H,24,25)(H2,17,18,23)