(2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-(4-pyridin-2-ylthiophen-2-yl)-1H-pyrimidin-4-one

Systemtic Name: (2E)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-(4-pyridin-2-ylthiophen-2-yl)-1H-pyrimidin-4-one Openeye Name: (2E)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-[4-(2-pyridyl)-2-thienyl]-1H-pyrimidin-4-one CAS Name: (2E)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-3-phenethyl-5-[4-(2-pyridinyl)-2-thiophenyl]-1H-pyrimidin-4-one IUPAC Name: (2E)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-(4-pyridin-2-ylthiophen-2-yl)-1H-pyrimidin-4-one Traditional Name: (2E)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-5-[4-(2-pyridyl)-2-thienyl]-1H-pyrimidin-4-one Formula: C28H22FN3O2S MolecularWeight: 483.556583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C2C=CC=C(C2=O)F)N1)CCC3=CC=CC=C3)C4=CC(=CS4)C5=CC=CC=N5

Isomeric SMILES

CC1=C(C(=O)N(/C(=C/2\C=CC=C(C2=O)F)/N1)CCC3=CC=CC=C3)C4=CC(=CS4)C5=CC=CC=N5

InChI

InChI=1S/C28H22FN3O2S/c1-18-25(24-16-20(17-35-24)23-12-5-6-14-30-23)28(34)32(15-13-19-8-3-2-4-9-19)27(31-18)21-10-7-11-22(29)26(21)33/h2-12,14,16-17,31H,13,15H2,1H3/b27-21+