[4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxy]-3-oxidanyl-butyl]phosphonic acid

Systemtic Name: [4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxy]-3-oxidanyl-butyl]phosphonic acid Openeye Name: [4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-3-hydroxy-butyl]phosphonic acid CAS Name: [4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-3-hydroxybutyl]phosphonic acid IUPAC Name: [4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-3-hydroxybutyl]phosphonic acid Traditional Name: [4-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)oxy]-3-hydroxy-butyl]phosphonic acid Formula: C9H16N5O6P MolecularWeight: 321.227001

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1OCC(CCP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1OCC(CCP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H16N5O6P/c10-9-12-7-6(8(16)13-9)11-4-14(7)20-3-5(15)1-2-21(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)