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

Systemtic Name: [(E)-5-(2-azanyl-6-chloranyl-purin-9-yl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(2-amino-6-chloro-purin-9-yl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(2-amino-6-chloro-9-purinyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(2-amino-6-chloropurin-9-yl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-5-(2-amino-6-chloro-purin-9-yl)pent-1-enyl]phosphonic acid Formula: C10H13ClN5O3P MolecularWeight: 317.668681

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCC=CP(=O)(O)O)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CCC/C=C/P(=O)(O)O)N=C(N=C2Cl)N

InChI

InChI=1S/C10H13ClN5O3P/c11-8-7-9(15-10(12)14-8)16(6-13-7)4-2-1-3-5-20(17,18)19/h3,5-6H,1-2,4H2,(H2,12,14,15)(H2,17,18,19)/b5-3+