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

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)oxy]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)oxy]-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)oxy]-2-hydroxy-propoxy]methylphosphonic acid Formula: C9H16N5O7P MolecularWeight: 337.226401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)21-2-5(15)1-20-4-22(17,18)19/h5,11,15H,1-4H2,(H2,17,18,19)(H3,10,12,13,16)