4-(6-azanyl-2-iodanyl-purin-9-yl)butyl dihydrogen phosphate

Systemtic Name: 4-(6-azanyl-2-iodanyl-purin-9-yl)butyl dihydrogen phosphate Openeye Name: 4-(6-amino-2-iodo-purin-9-yl)butyl dihydrogen phosphate CAS Name: 4-(6-amino-2-iodo-9-purinyl)butyl dihydrogen phosphate IUPAC Name: 4-(6-amino-2-iodopurin-9-yl)butyl dihydrogen phosphate Traditional Name: 4-(6-amino-2-iodo-purin-9-yl)butyl dihydrogen phosphate Formula: C9H13IN5O4P MolecularWeight: 413.108851

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCOP(=O)(O)O)N=C(N=C2N)I

Isomeric SMILES

C1=NC2=C(N1CCCCOP(=O)(O)O)N=C(N=C2N)I

InChI

InChI=1S/C9H13IN5O4P/c10-9-13-7(11)6-8(14-9)15(5-12-6)3-1-2-4-19-20(16,17)18/h5H,1-4H2,(H2,11,13,14)(H2,16,17,18)