[(E)-5-(2-azanyl-6-chloranyl-7H-purin-8-yl)-3-(oxan-2-yloxymethyl)pent-1-enyl]phosphonic acid

Systemtic Name: [(E)-5-(2-azanyl-6-chloranyl-7H-purin-8-yl)-3-(oxan-2-yloxymethyl)pent-1-enyl]phosphonic acid Openeye Name: [(E)-5-(2-amino-6-chloro-7H-purin-8-yl)-3-(tetrahydropyran-2-yloxymethyl)pent-1-enyl]phosphonic acid CAS Name: [(E)-5-(2-amino-6-chloro-7H-purin-8-yl)-3-(2-oxanyloxymethyl)pent-1-enyl]phosphonic acid IUPAC Name: [(E)-5-(2-amino-6-chloro-7H-purin-8-yl)-3-(oxan-2-yloxymethyl)pent-1-enyl]phosphonic acid Traditional Name: [(E)-5-(2-amino-6-chloro-7H-purin-8-yl)-3-(tetrahydropyran-2-yloxymethyl)pent-1-enyl]phosphonic acid Formula: C16H23ClN5O5P MolecularWeight: 431.811081

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC(CCC2=NC3=C(N2)C(=NC(=N3)N)Cl)C=CP(=O)(O)O

Isomeric SMILES

C1CCOC(C1)OCC(CCC2=NC3=C(N2)C(=NC(=N3)N)Cl)/C=C/P(=O)(O)O

InChI

InChI=1S/C16H23ClN5O5P/c17-14-13-15(22-16(18)21-14)20-11(19-13)5-4-10(6-8-28(23,24)25)9-27-12-3-1-2-7-26-12/h6,8,10,12H,1-5,7,9H2,(H2,23,24,25)(H3,18,19,20,21,22)/b8-6+