[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [2-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C10H16N5O6P MolecularWeight: 333.237701

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(CCO)COCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C(CCO)COCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-4-15(8)6(1-2-16)3-21-5-22(18,19)20/h4,6,16H,1-3,5H2,(H2,18,19,20)(H3,11,13,14,17)