3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-oxidanyl-methoxy]propyl (phenylmethyl) carbonate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-oxidanyl-methoxy]propyl (phenylmethyl) carbonate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-hydroxy-methoxy]propyl benzyl carbonate CAS Name: carbonic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-hydroxymethoxy]propyl (phenylmethyl) ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-hydroxymethoxy]propyl benzyl carbonate Traditional Name: carbonic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-hydroxy-methoxy]propyl benzyl ester Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C(O)OCCCOC(=O)OCC3=CC=CC=C3)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1C(O)OCCCOC(=O)OCC3=CC=CC=C3)NC(=NC2=O)N

InChI

InChI=1S/C17H21N5O6/c18-15-20-13-12(14(23)21-15)19-10-22(13)16(24)26-7-4-8-27-17(25)28-9-11-5-2-1-3-6-11/h1-3,5-6,16,19,24H,4,7-10H2,(H3,18,20,21,23)