[(2S,3S)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-4-(phosphonomethoxy)butoxy]methylphosphonic acid

Systemtic Name: [(2S,3S)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-4-(phosphonomethoxy)butoxy]methylphosphonic acid Openeye Name: [(2S,3S)-2-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid CAS Name: [(2S,3S)-2-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid IUPAC Name: [(2S,3S)-2-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid Traditional Name: [(2S,3S)-2-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-4-(phosphonomethoxy)butoxy]methylphosphonic acid Formula: C11H19N5O10P2 MolecularWeight: 443.243582

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(COCP(=O)(O)O)C(COCP(=O)(O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@@H](COCP(=O)(O)O)[C@@H](COCP(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C11H19N5O10P2/c12-11-14-9-8(10(18)15-11)13-3-16(9)6(1-25-4-27(19,20)21)7(17)2-26-5-28(22,23)24/h3,6-7,17H,1-2,4-5H2,(H2,19,20,21)(H2,22,23,24)(H3,12,14,15,18)/t6-,7+/m0/s1