ethyl (4Z)-2-azanyl-4-[3-(2-fluoranyl-4-methyl-phenyl)carbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidine-6-carboxylate

Systemtic Name: ethyl (4Z)-2-azanyl-4-[3-(2-fluoranyl-4-methyl-phenyl)carbonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidine-6-carboxylate Openeye Name: ethyl (4Z)-2-amino-4-[3-(2-fluoro-4-methyl-benzoyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidine-6-carboxylate CAS Name: (4Z)-2-amino-4-[3-[(2-fluoro-4-methylphenyl)-oxomethyl]-6-oxo-1-cyclohexa-2,4-dienylidene]-1H-pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-2-amino-4-[3-(2-fluoro-4-methylbenzoyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-1H-pyrimidine-6-carboxylate Traditional Name: (4Z)-2-amino-4-[3-(2-fluoro-4-methyl-benzoyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]-1H-pyrimidine-6-carboxylic acid ethyl ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C=C(C=CC2=O)C(=O)C3=C(C=C(C=C3)C)F)N=C(N1)N

Isomeric SMILES

CCOC(=O)C1=C/C(=C/2\C=C(C=CC2=O)C(=O)C3=C(C=C(C=C3)C)F)/N=C(N1)N

InChI

InChI=1S/C21H18FN3O4/c1-3-29-20(28)17-10-16(24-21(23)25-17)14-9-12(5-7-18(14)26)19(27)13-6-4-11(2)8-15(13)22/h4-10H,3H2,1-2H3,(H3,23,24,25)/b16-14-