3-[[2-chloranyl-6-(methylamino)purin-9-yl]-oxidanyl-methoxy]propyl cyclohexyl carbonate

Systemtic Name: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]-oxidanyl-methoxy]propyl cyclohexyl carbonate Openeye Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]-hydroxy-methoxy]propyl cyclohexyl carbonate CAS Name: carbonic acid 3-[[2-chloro-6-(methylamino)-9-purinyl]-hydroxymethoxy]propyl cyclohexyl ester IUPAC Name: 3-[[2-chloro-6-(methylamino)purin-9-yl]-hydroxymethoxy]propyl cyclohexyl carbonate Traditional Name: carbonic acid 3-[[2-chloro-6-(methylamino)purin-9-yl]-hydroxy-methoxy]propyl cyclohexyl ester Formula: C17H24ClN5O5 MolecularWeight: 413.85596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C(O)OCCCOC(=O)OC3CCCCC3)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C(O)OCCCOC(=O)OC3CCCCC3)Cl

InChI

InChI=1S/C17H24ClN5O5/c1-19-13-12-14(22-15(18)21-13)23(10-20-12)16(24)26-8-5-9-27-17(25)28-11-6-3-2-4-7-11/h10-11,16,24H,2-9H2,1H3,(H,19,21,22)