2-(6-azanylpurin-7-yl)pent-4-enoxymethylphosphonic acid

Systemtic Name: 2-(6-azanylpurin-7-yl)pent-4-enoxymethylphosphonic acid Openeye Name: 2-(6-aminopurin-7-yl)pent-4-enoxymethylphosphonic acid CAS Name: 2-(6-amino-7-purinyl)pent-4-enoxymethylphosphonic acid IUPAC Name: 2-(6-aminopurin-7-yl)pent-4-enoxymethylphosphonic acid Traditional Name: 2-(6-aminopurin-7-yl)pent-4-enoxymethylphosphonic acid Formula: C11H16N5O4P MolecularWeight: 313.249601

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(COCP(=O)(O)O)N1C=NC2=C1C(=NC=N2)N

Isomeric SMILES

C=CCC(COCP(=O)(O)O)N1C=NC2=C1C(=NC=N2)N

InChI

InChI=1S/C11H16N5O4P/c1-2-3-8(4-20-7-21(17,18)19)16-6-15-11-9(16)10(12)13-5-14-11/h2,5-6,8H,1,3-4,7H2,(H2,12,13,14)(H2,17,18,19)