[(Z)-3-(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)-1-fluoranyl-2-phenyl-prop-1-enyl]phosphonic acid

Systemtic Name: [(Z)-3-(2-azanyl-6-chloranyl-3,6-dihydropurin-9-yl)-1-fluoranyl-2-phenyl-prop-1-enyl]phosphonic acid Openeye Name: [(Z)-3-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-fluoro-2-phenyl-prop-1-enyl]phosphonic acid CAS Name: [(Z)-3-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-fluoro-2-phenylprop-1-enyl]phosphonic acid IUPAC Name: [(Z)-3-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-fluoro-2-phenylprop-1-enyl]phosphonic acid Traditional Name: [(Z)-3-(2-amino-6-chloro-3,6-dihydropurin-9-yl)-1-fluoro-2-phenyl-prop-1-enyl]phosphonic acid Formula: C14H14ClFN5O3P MolecularWeight: 385.717824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClFN5O3P/c15-11-10-13(20-14(17)19-11)21(7-18-10)6-9(12(16)25(22,23)24)8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H3,17,19,20)(H2,22,23,24)/b12-9+