[(2E)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(fluoranylmethylidene)butyl] benzoate

Systemtic Name: [(2E)-4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(fluoranylmethylidene)butyl] benzoate Openeye Name: [(2E)-4-(4-amino-2-oxo-pyrimidin-1-yl)-2-(fluoromethylene)butyl] benzoate CAS Name: benzoic acid [(2E)-4-(4-amino-2-oxo-1-pyrimidinyl)-2-(fluoromethylidene)butyl] ester IUPAC Name: [(2E)-4-(4-amino-2-oxopyrimidin-1-yl)-2-(fluoromethylidene)butyl] benzoate Traditional Name: benzoic acid [(E)-2-[2-(4-amino-2-keto-pyrimidin-1-yl)ethyl]-3-fluoro-allyl] ester Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(=CF)CCN2C=CC(=NC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC/C(=C/F)/CCN2C=CC(=NC2=O)N

InChI

InChI=1S/C16H16FN3O3/c17-10-12(6-8-20-9-7-14(18)19-16(20)22)11-23-15(21)13-4-2-1-3-5-13/h1-5,7,9-10H,6,8,11H2,(H2,18,19,22)/b12-10+