[2-(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)-1-phenoxy-ethyl]phosphonic acid

Systemtic Name: [2-(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)-1-phenoxy-ethyl]phosphonic acid Openeye Name: [2-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-phenoxy-ethyl]phosphonic acid CAS Name: [2-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-phenoxyethyl]phosphonic acid IUPAC Name: [2-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-phenoxyethyl]phosphonic acid Traditional Name: [2-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-phenoxy-ethyl]phosphonic acid Formula: C13H15ClN5O4P MolecularWeight: 371.716061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CN2C=NC3=C2NC(=NC3Cl)N)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CN2C=NC3=C2NC(=NC3Cl)N)P(=O)(O)O

InChI

InChI=1S/C13H15ClN5O4P/c14-11-10-12(18-13(15)17-11)19(7-16-10)6-9(24(20,21)22)23-8-4-2-1-3-5-8/h1-5,7,9,11H,6H2,(H3,15,17,18)(H2,20,21,22)