[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pentyl-oxidanyl-phosphoryl]oxymethylphosphonic acid

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pentyl-oxidanyl-phosphoryl]oxymethylphosphonic acid Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)pentyl-hydroxy-phosphoryl]oxymethylphosphonic acid CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)pentyl-hydroxyphosphoryl]oxymethylphosphonic acid IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)pentyl-hydroxyphosphoryl]oxymethylphosphonic acid Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)pentyl-hydroxy-phosphoryl]oxymethylphosphonic acid Formula: C11H19N5O7P2 MolecularWeight: 395.245382

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCP(=O)(O)OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCCP(=O)(O)OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C11H19N5O7P2/c12-11-14-9-8(10(17)15-11)13-6-16(9)4-2-1-3-5-25(21,22)23-7-24(18,19)20/h6H,1-5,7H2,(H,21,22)(H2,18,19,20)(H3,12,14,15,17)