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

Systemtic Name: (6Z)-6-[2-azanyl-6-(4-methylpiperazin-1-yl)carbonyl-1H-pyrimidin-4-ylidene]-4-(2-fluoranyl-4-methyl-phenyl)carbonyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[2-amino-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-4-ylidene]-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrimidin-4-ylidene]-4-[(2-fluoro-4-methylphenyl)-oxomethyl]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[2-amino-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-4-ylidene]-4-(2-fluoro-4-methylbenzoyl)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-amino-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-4-ylidene]-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one Formula: C24H24FN5O3 MolecularWeight: 449.477463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC(=C3C=C(NC(=N3)N)C(=O)N4CCN(CC4)C)C(=O)C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C/C(=C/3\C=C(NC(=N3)N)C(=O)N4CCN(CC4)C)/C(=O)C=C2)F

InChI

InChI=1S/C24H24FN5O3/c1-14-3-5-16(18(25)11-14)22(32)15-4-6-21(31)17(12-15)19-13-20(28-24(26)27-19)23(33)30-9-7-29(2)8-10-30/h3-6,11-13H,7-10H2,1-2H3,(H3,26,27,28)/b19-17-