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

Systemtic Name: [(E)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-5-(2-amino-6-keto-3H-purin-9-yl)-3-methylol-pent-1-enyl]phosphonic acid Formula: C11H16N5O5P MolecularWeight: 329.249001

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)C=CP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

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

InChI

InChI=1S/C11H16N5O5P/c12-11-14-9-8(10(18)15-11)13-6-16(9)3-1-7(5-17)2-4-22(19,20)21/h2,4,6-7,17H,1,3,5H2,(H2,19,20,21)(H3,12,14,15,18)/b4-2+