[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(1,3-benzoxazol-2-yl)methyl]phosphonic acid

Systemtic Name: [[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-(1,3-benzoxazol-2-yl)methyl]phosphonic acid Openeye Name: [[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(1,3-benzoxazol-2-yl)methyl]phosphonic acid CAS Name: [[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-(1,3-benzoxazol-2-yl)methyl]phosphonic acid IUPAC Name: [[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(1,3-benzoxazol-2-yl)methyl]phosphonic acid Traditional Name: [[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(1,3-benzoxazol-2-yl)methyl]phosphonic acid Formula: C17H20N4O12P2 MolecularWeight: 534.307822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C(OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O)P(=O)(O)O

InChI

InChI=1S/C17H20N4O12P2/c18-11-5-6-21(17(24)20-11)15-13(23)12(22)10(32-15)7-30-35(28,29)33-16(34(25,26)27)14-19-8-3-1-2-4-9(8)31-14/h1-6,10,12-13,15-16,22-23H,7H2,(H,28,29)(H2,18,20,24)(H2,25,26,27)/t10-,12-,13-,15-,16?/m1/s1