(6Z)-6-(2-azanyl-4-piperazin-1-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-piperazin-1-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-piperazin-1-yl-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-4-(1-piperazinyl)-1H-pyrimidin-6-ylidene]-4-[(2-fluoro-4-methylphenyl)-oxomethyl]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(2-amino-4-piperazin-1-yl-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methylbenzoyl)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-(2-amino-4-piperazino-1H-pyrimidin-6-ylidene)-4-(2-fluoro-4-methyl-benzoyl)cyclohexa-2,4-dien-1-one Formula: C22H22FN5O2 MolecularWeight: 407.440783

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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)N4CCNCC4)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)N4CCNCC4)/C(=O)C=C2)F

InChI

InChI=1S/C22H22FN5O2/c1-13-2-4-15(17(23)10-13)21(30)14-3-5-19(29)16(11-14)18-12-20(27-22(24)26-18)28-8-6-25-7-9-28/h2-5,10-12,25H,6-9H2,1H3,(H3,24,26,27)/b18-16-