[(E)-4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)but-1-enyl]phosphonic acid

Systemtic Name: [(E)-4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)but-1-enyl]phosphonic acid Openeye Name: [(E)-4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-1-enyl]phosphonic acid CAS Name: [(E)-4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-1-enyl]phosphonic acid IUPAC Name: [(E)-4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)but-1-enyl]phosphonic acid Traditional Name: [(E)-4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)but-1-enyl]phosphonic acid Formula: C9H14N5O4P MolecularWeight: 287.212321

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCC=CP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CC/C=C/P(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H14N5O4P/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-19(16,17)18/h2,4,11H,1,3,5H2,(H2,16,17,18)(H3,10,12,13,15)/b4-2+