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

Systemtic Name: [(E)-5-(2-azanyl-6-chloranyl-purin-9-yl)-3-methylidene-pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(2-amino-6-chloro-purin-9-yl)-3-methylene-pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(2-amino-6-chloro-9-purinyl)-3-methylenepent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(2-amino-6-chloropurin-9-yl)-3-methylidenepent-1-enyl]phosphonic acid Traditional Name: [(1E)-3-[2-(2-amino-6-chloro-purin-9-yl)ethyl]buta-1,3-dienyl]phosphonic acid Formula: C11H13ClN5O3P MolecularWeight: 329.679381

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCN1C=NC2=C1N=C(N=C2Cl)N)C=CP(=O)(O)O

Isomeric SMILES

C=C(CCN1C=NC2=C1N=C(N=C2Cl)N)/C=C/P(=O)(O)O

InChI

InChI=1S/C11H13ClN5O3P/c1-7(3-5-21(18,19)20)2-4-17-6-14-8-9(12)15-11(13)16-10(8)17/h3,5-6H,1-2,4H2,(H2,13,15,16)(H2,18,19,20)/b5-3+