[(E)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-2-enoxy]methylphosphonic acid

Systemtic Name: [(E)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)but-2-enoxy]methylphosphonic acid Openeye Name: [(E)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enoxy]methylphosphonic acid CAS Name: [(E)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enoxy]methylphosphonic acid IUPAC Name: [(E)-4-(2-amino-6-oxo-3H-purin-9-yl)but-2-enoxy]methylphosphonic acid Traditional Name: [(E)-4-(2-amino-6-keto-3H-purin-9-yl)but-2-enoxy]methylphosphonic acid Formula: C10H14N5O5P MolecularWeight: 315.222421

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC=CCOCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

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

InChI

InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(16)14-10)12-5-15(8)3-1-2-4-20-6-21(17,18)19/h1-2,5H,3-4,6H2,(H2,17,18,19)(H3,11,13,14,16)/b2-1+