3-[[2-chloranyl-6-(methylamino)purin-9-yl]-ethenoxysulfanylcarbonyloxy-methoxy]propyl ethenoxysulfanylmethanoate

Systemtic Name: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]-ethenoxysulfanylcarbonyloxy-methoxy]propyl ethenoxysulfanylmethanoate Openeye Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]-vinyloxysulfanylcarbonyloxy-methoxy]propyl vinyloxysulfanylformate CAS Name: (ethenoxythio)formic acid 3-[[2-chloro-6-(methylamino)-9-purinyl]-[(ethenoxythio)-oxomethoxy]methoxy]propyl ester IUPAC Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]-ethenoxysulfanylcarbonyloxymethoxy]propyl ethenoxysulfanylformate Traditional Name: (vinyloxythio)formic acid 3-[[2-chloro-6-(methylamino)purin-9-yl]-(vinyloxythio)carbonyloxy-methoxy]propyl ester Formula: C16H18ClN5O7S2 MolecularWeight: 491.92642

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C(OCCCOC(=O)SOC=C)OC(=O)SOC=C)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C(OCCCOC(=O)SOC=C)OC(=O)SOC=C)Cl

InChI

InChI=1S/C16H18ClN5O7S2/c1-4-27-30-15(23)26-8-6-7-25-14(29-16(24)31-28-5-2)22-9-19-10-11(18-3)20-13(17)21-12(10)22/h4-5,9,14H,1-2,6-8H2,3H3,(H,18,20,21)