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

Systemtic Name: (2E)-5-(4,5-dimethylthiophen-2-yl)-2-(5-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Openeye Name: (2E)-5-(4,5-dimethyl-2-thienyl)-2-(5-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one CAS Name: (2E)-5-(4,5-dimethyl-2-thiophenyl)-2-(5-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one IUPAC Name: (2E)-5-(4,5-dimethylthiophen-2-yl)-2-(5-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Traditional Name: (2E)-5-(4,5-dimethyl-2-thienyl)-2-(5-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-6-methyl-3-phenethyl-1H-pyrimidin-4-one Formula: C25H23FN2O2S MolecularWeight: 434.525723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C2=C(NC(=C3C=CC=C(C3=O)F)N(C2=O)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(SC(=C1)C2=C(N/C(=C\3/C=CC=C(C3=O)F)/N(C2=O)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H23FN2O2S/c1-15-14-21(31-17(15)3)22-16(2)27-24(19-10-7-11-20(26)23(19)29)28(25(22)30)13-12-18-8-5-4-6-9-18/h4-11,14,27H,12-13H2,1-3H3/b24-19+