[(E)-2-[2-[(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)methyl]phenyl]ethenyl]phosphonic acid

Systemtic Name: [(E)-2-[2-[(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)methyl]phenyl]ethenyl]phosphonic acid Openeye Name: [(E)-2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]vinyl]phosphonic acid CAS Name: [(E)-2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]ethenyl]phosphonic acid IUPAC Name: [(E)-2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]ethenyl]phosphonic acid Traditional Name: [(E)-2-[2-[(2-amino-6-chloro-3,6-dihydropurin-9-yl)methyl]phenyl]vinyl]phosphonic acid Formula: C14H15ClN5O3P MolecularWeight: 367.727361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN5O3P/c15-12-11-13(19-14(16)18-12)20(8-17-11)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-6,8,12H,7H2,(H3,16,18,19)(H2,21,22,23)/b6-5+