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

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)butyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)butyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)butyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)butyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C10H17N5O6P2 MolecularWeight: 365.219402

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCP(=O)(CP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCCCP(=O)(CP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H17N5O6P2/c11-10-13-8-7(9(16)14-10)12-5-15(8)3-1-2-4-22(17,18)6-23(19,20)21/h5H,1-4,6H2,(H,17,18)(H2,19,20,21)(H3,11,13,14,16)