3-[(2-azanylpurin-9-yl)-oxidanyl-methoxy]propyl phenyl carbonate

Systemtic Name: 3-[(2-azanylpurin-9-yl)-oxidanyl-methoxy]propyl phenyl carbonate Openeye Name: 3-[(2-aminopurin-9-yl)-hydroxy-methoxy]propyl phenyl carbonate CAS Name: carbonic acid 3-[(2-amino-9-purinyl)-hydroxymethoxy]propyl phenyl ester IUPAC Name: 3-[(2-aminopurin-9-yl)-hydroxymethoxy]propyl phenyl carbonate Traditional Name: carbonic acid 3-[(2-aminopurin-9-yl)-hydroxy-methoxy]propyl phenyl ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)OCCCOC(N2C=NC3=CN=C(N=C32)N)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)OCCCOC(N2C=NC3=CN=C(N=C32)N)O

InChI

InChI=1S/C16H17N5O5/c17-14-18-9-12-13(20-14)21(10-19-12)15(22)24-7-4-8-25-16(23)26-11-5-2-1-3-6-11/h1-3,5-6,9-10,15,22H,4,7-8H2,(H2,17,18,20)