(6Z)-6-(2-azanyl-4-pyridin-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-pyridin-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-(4-pyridyl)-1H-pyrimidin-6-ylidene]-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-(2-amino-4-pyridin-4-yl-1H-pyrimidin-6-ylidene)-4-[(2-fluoro-4-methylphenyl)-oxomethyl]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-amino-4-pyridin-4-yl-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methylbenzoyl)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-amino-4-(4-pyridyl)-1H-pyrimidin-6-ylidene]-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one Formula: C23H17FN4O2 MolecularWeight: 400.405083

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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)C4=CC=NC=C4)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)C4=CC=NC=C4)/C(=O)C=C2)F

InChI

InChI=1S/C23H17FN4O2/c1-13-2-4-16(18(24)10-13)22(30)15-3-5-21(29)17(11-15)20-12-19(27-23(25)28-20)14-6-8-26-9-7-14/h2-12H,1H3,(H3,25,27,28)/b20-17-