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

Systemtic Name: [(E)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-4-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-4-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-4-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-4-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-but-1-enyl]phosphonic acid Formula: C9H12N5O5P MolecularWeight: 301.195841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=NC2=C(N1CC(/C=C/P(=O)(O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H12N5O5P/c10-9-12-7-6(8(16)13-9)11-4-14(7)3-5(15)1-2-20(17,18)19/h1-2,4-5,15H,3H2,(H2,17,18,19)(H3,10,12,13,16)/b2-1+