[(1S,2R,3S,4R,5R)-2-(6-azanyl-2-methylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)-5-bicyclo[3.1.0]hexanyl]methoxy-imidazol-1-yl-phosphinic acid

Systemtic Name: [(1S,2R,3S,4R,5R)-2-(6-azanyl-2-methylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)-5-bicyclo[3.1.0]hexanyl]methoxy-imidazol-1-yl-phosphinic acid Openeye Name: [(1S,2R,3S,4R,5R)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-imidazol-1-yl-phosphinic acid CAS Name: [(1S,2R,3S,4R,5R)-2-[6-amino-2-(methylthio)-9-purinyl]-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-(1-imidazolyl)phosphinic acid IUPAC Name: [(1S,2R,3S,4R,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-imidazol-1-ylphosphinic acid Traditional Name: [(1S,2R,3S,4R,5R)-2-[6-amino-2-(methylthio)purin-9-yl]-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-imidazol-1-yl-phosphinic acid Formula: C16H20N7O5PS MolecularWeight: 453.412661

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)N)N=CN2C3C4CC4(C(C3O)O)COP(=O)(N5C=CN=C5)O

Isomeric SMILES

CSC1=NC2=C(C(=N1)N)N=CN2[C@@H]3[C@H]4C[C@]4([C@H]([C@H]3O)O)COP(=O)(N5C=CN=C5)O

InChI

InChI=1S/C16H20N7O5PS/c1-30-15-20-13(17)9-14(21-15)23(7-19-9)10-8-4-16(8,12(25)11(10)24)5-28-29(26,27)22-3-2-18-6-22/h2-3,6-8,10-12,24-25H,4-5H2,1H3,(H,26,27)(H2,17,20,21)/t8-,10-,11+,12+,16+/m1/s1