3-[[2-azido-6-(ethylamino)purin-9-yl]-phenylmethoxycarbonyloxy-methoxy]propyl (phenylmethyl) carbonate

Systemtic Name: 3-[[2-azido-6-(ethylamino)purin-9-yl]-phenylmethoxycarbonyloxy-methoxy]propyl (phenylmethyl) carbonate Openeye Name: 3-[[2-azido-6-(ethylamino)purin-9-yl]-benzyloxycarbonyloxy-methoxy]propyl benzyl carbonate CAS Name: carbonic acid 3-[[2-azido-6-(ethylamino)-9-purinyl]-phenylmethoxycarbonyloxymethoxy]propyl (phenylmethyl) ester IUPAC Name: 3-[[2-azido-6-(ethylamino)purin-9-yl]-phenylmethoxycarbonyloxymethoxy]propyl benzyl carbonate Traditional Name: carbonic acid 3-[[2-azido-6-(ethylamino)purin-9-yl]-carbobenzoxyoxy-methoxy]propyl benzyl ester Formula: C27H28N8O7 MolecularWeight: 576.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=CN2C(OCCCOC(=O)OCC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4)N=[N+]=[N-]

Isomeric SMILES

CCNC1=NC(=NC2=C1N=CN2C(OCCCOC(=O)OCC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4)N=[N+]=[N-]

InChI

InChI=1S/C27H28N8O7/c1-2-29-22-21-23(32-24(31-22)33-34-28)35(18-30-21)25(42-27(37)41-17-20-12-7-4-8-13-20)38-14-9-15-39-26(36)40-16-19-10-5-3-6-11-19/h3-8,10-13,18,25H,2,9,14-17H2,1H3,(H,29,31,32)