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

Systemtic Name: [2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethoxymethyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [2-(2-amino-6-oxo-3H-purin-9-yl)ethoxymethyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [2-(2-amino-6-keto-3H-purin-9-yl)ethoxymethyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C9H15N5O7P2 MolecularWeight: 367.192222

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(CP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(CP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H15N5O7P2/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-2-21-4-22(16,17)5-23(18,19)20/h3H,1-2,4-5H2,(H,16,17)(H2,18,19,20)(H3,10,12,13,15)