[[[(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-thiazol-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-thiazol-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-thiazol-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-(2-thiazolyl)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-thiazol-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-thiazol-2-yl-methyl]phosphonic acid Formula: C13H18N4O11P2S MolecularWeight: 500.314742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC(C3=NC=CS3)P(=O)(O)O)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OC(C3=NC=CS3)P(=O)(O)O)O)O

InChI

InChI=1S/C13H18N4O11P2S/c14-7-1-3-17(13(20)16-7)11-9(19)8(18)6(27-11)5-26-30(24,25)28-12(29(21,22)23)10-15-2-4-31-10/h1-4,6,8-9,11-12,18-19H,5H2,(H,24,25)(H2,14,16,20)(H2,21,22,23)/t6-,8-,9-,11-,12?/m1/s1