[(E)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pent-1-enyl]phosphonic acid

Systemtic Name: [(E)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-5-(2-amino-6-keto-3H-purin-9-yl)pent-1-enyl]phosphonic acid Formula: C10H14N5O4P MolecularWeight: 299.223021

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCC=CP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC/C=C/P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14N5O4P/c11-10-13-8-7(9(16)14-10)12-6-15(8)4-2-1-3-5-20(17,18)19/h3,5-6H,1-2,4H2,(H2,17,18,19)(H3,11,13,14,16)/b5-3+