[6-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)hexyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [6-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)hexyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [6-(2-amino-6-oxo-3H-purin-7-yl)hexyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [6-(2-amino-6-oxo-3H-purin-7-yl)hexyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [6-(2-amino-6-oxo-3H-purin-7-yl)hexyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [6-(2-amino-6-keto-3H-purin-7-yl)hexyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C12H21N5O6P2 MolecularWeight: 393.272562

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCCCP(=O)(CP(=O)(O)O)O)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CCCCCCP(=O)(CP(=O)(O)O)O)C(=O)N=C(N2)N

InChI

InChI=1S/C12H21N5O6P2/c13-12-15-10-9(11(18)16-12)17(7-14-10)5-3-1-2-4-6-24(19,20)8-25(21,22)23/h7H,1-6,8H2,(H,19,20)(H2,21,22,23)(H3,13,15,16,18)