[(E)-2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid

Systemtic Name: [(E)-2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid Openeye Name: [(E)-2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid CAS Name: [(E)-2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid IUPAC Name: [(E)-2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid Traditional Name: [(E)-2-[2-[(2-amino-6-keto-3H-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid Formula: C14H14N5O4P MolecularWeight: 347.265821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N5O4P/c15-14-17-12-11(13(20)18-14)16-8-19(12)7-10-4-2-1-3-9(10)5-6-24(21,22)23/h1-6,8H,7H2,(H2,21,22,23)(H3,15,17,18,20)/b6-5+