(6E)-6-[2-azanyl-6-(2-methyl-5-propyl-pyrazol-3-yl)-1H-pyrimidin-4-ylidene]-4-fluoranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[2-azanyl-6-(2-methyl-5-propyl-pyrazol-3-yl)-1H-pyrimidin-4-ylidene]-4-fluoranyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-6-(2-methyl-5-propyl-pyrazol-3-yl)-1H-pyrimidin-4-ylidene]-4-fluoro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-6-(2-methyl-5-propyl-3-pyrazolyl)-1H-pyrimidin-4-ylidene]-4-fluoro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-6-(2-methyl-5-propylpyrazol-3-yl)-1H-pyrimidin-4-ylidene]-4-fluorocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-6-(2-methyl-5-propyl-pyrazol-3-yl)-1H-pyrimidin-4-ylidene]-4-fluoro-cyclohexa-2,4-dien-1-one Formula: C17H18FN5O MolecularWeight: 327.356123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C2=CC(=C3C=C(C=CC3=O)F)N=C(N2)N)C

Isomeric SMILES

CCCC1=NN(C(=C1)C2=C/C(=C\3/C=C(C=CC3=O)F)/N=C(N2)N)C

InChI

InChI=1S/C17H18FN5O/c1-3-4-11-8-15(23(2)22-11)14-9-13(20-17(19)21-14)12-7-10(18)5-6-16(12)24/h5-9H,3-4H2,1-2H3,(H3,19,20,21)/b13-12+