(6Z)-6-(2-azanyl-4-morpholin-4-yl-1H-pyrimidin-6-ylidene)-4-(2-fluoranyl-4-methyl-phenyl)carbonyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(2-azanyl-4-morpholin-4-yl-1H-pyrimidin-6-ylidene)-4-(2-fluoranyl-4-methyl-phenyl)carbonyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(2-amino-4-morpholino-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-4-(4-morpholinyl)-1H-pyrimidin-6-ylidene]-4-[(2-fluoro-4-methylphenyl)-oxomethyl]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-amino-4-morpholin-4-yl-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methylbenzoyl)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-(2-amino-4-morpholino-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC(=C3C=C(N=C(N3)N)N4CCOCC4)C(=O)C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C/C(=C/3\C=C(N=C(N3)N)N4CCOCC4)/C(=O)C=C2)F

InChI

InChI=1S/C22H21FN4O3/c1-13-2-4-15(17(23)10-13)21(29)14-3-5-19(28)16(11-14)18-12-20(26-22(24)25-18)27-6-8-30-9-7-27/h2-5,10-12H,6-9H2,1H3,(H3,24,25,26)/b18-16-