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

Systemtic Name: [(E)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-methylidene-pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-methylene-pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-methylenepent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-methylidenepent-1-enyl]phosphonic acid Traditional Name: [(1E)-3-[2-(2-amino-6-keto-3H-purin-9-yl)ethyl]buta-1,3-dienyl]phosphonic acid Formula: C11H14N5O4P MolecularWeight: 311.233721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CCN1C=NC2=C1NC(=NC2=O)N)C=CP(=O)(O)O

Isomeric SMILES

C=C(CCN1C=NC2=C1NC(=NC2=O)N)/C=C/P(=O)(O)O

InChI

InChI=1S/C11H14N5O4P/c1-7(3-5-21(18,19)20)2-4-16-6-13-8-9(16)14-11(12)15-10(8)17/h3,5-6H,1-2,4H2,(H2,18,19,20)(H3,12,14,15,17)/b5-3+