2-azanyl-9-[(Z)-3-fluoranyl-2-phenyl-prop-2-enyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(Z)-3-fluoranyl-2-phenyl-prop-2-enyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(Z)-3-fluoro-2-phenyl-allyl]-3H-purin-6-one CAS Name: 2-amino-9-[(Z)-3-fluoro-2-phenylprop-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(Z)-3-fluoro-2-phenylprop-2-enyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(Z)-3-fluoro-2-phenyl-allyl]-3H-purin-6-one Formula: C14H12FN5O MolecularWeight: 285.276383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FN5O/c15-6-10(9-4-2-1-3-5-9)7-20-8-17-11-12(20)18-14(16)19-13(11)21/h1-6,8H,7H2,(H3,16,18,19,21)/b10-6+