[3-(6-aminopurin-9-yl)-2-phenylmethoxy-propoxy]methyl dihydrogen phosphate

Systemtic Name: [3-(6-aminopurin-9-yl)-2-phenylmethoxy-propoxy]methyl dihydrogen phosphate Openeye Name: [3-(6-aminopurin-9-yl)-2-benzyloxy-propoxy]methyl dihydrogen phosphate CAS Name: [3-(6-aminopurin-9-yl)-2-phenylmethoxypropoxy]methyl dihydrogen phosphate IUPAC Name: [3-(6-aminopurin-9-yl)-2-phenylmethoxypropoxy]methyl dihydrogen phosphate Traditional Name: (3-adenin-9-yl-2-benzoxy-propoxy)methyl dihydrogen phosphate Formula: C16H20N5O6P MolecularWeight: 409.333661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CN2C=NC3=C2N=CN=C3N)COCOP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(CN2C=NC3=C2N=CN=C3N)COCOP(=O)(O)O

InChI

InChI=1S/C16H20N5O6P/c17-15-14-16(19-9-18-15)21(10-20-14)6-13(8-25-11-27-28(22,23)24)26-7-12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,11H2,(H2,17,18,19)(H2,22,23,24)