[(E)-5-(6-azanylpurin-1-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid

Systemtic Name: [(E)-5-(6-azanylpurin-1-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(6-aminopurin-1-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(6-amino-1-purinyl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(6-aminopurin-1-yl)-3-(hydroxymethyl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-5-(6-aminopurin-1-yl)-3-methylol-pent-1-enyl]phosphonic acid Formula: C11H16N5O4P MolecularWeight: 313.249601

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N(C=NC2=N1)CCC(CO)C=CP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N(C=NC2=N1)CCC(CO)/C=C/P(=O)(O)O)N

InChI

InChI=1S/C11H16N5O4P/c12-10-9-11(14-6-13-9)15-7-16(10)3-1-8(5-17)2-4-21(18,19)20/h2,4,6-8,17H,1,3,5,12H2,(H2,18,19,20)/b4-2+