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

Systemtic Name: [[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanyl-propyl]amino]methylphosphonic acid Openeye Name: [[3-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxy-propyl]amino]methylphosphonic acid CAS Name: [[3-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxypropyl]amino]methylphosphonic acid IUPAC Name: [[3-(2-amino-6-oxo-3H-purin-9-yl)-2-hydroxypropyl]amino]methylphosphonic acid Traditional Name: [[3-(2-amino-6-keto-3H-purin-9-yl)-2-hydroxy-propyl]amino]methylphosphonic acid Formula: C9H15N6O5P MolecularWeight: 318.226361

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CNCP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CNCP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H15N6O5P/c10-9-13-7-6(8(17)14-9)12-3-15(7)2-5(16)1-11-4-21(18,19)20/h3,5,11,16H,1-2,4H2,(H2,18,19,20)(H3,10,13,14,17)