(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: (2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: (2E)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: (2E)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: (2E)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: (2E)-2-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C2C=C(C=CC2=O)Cl)N(C1=O)CCC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N/C(=C\2/C=C(C=CC2=O)Cl)/N(C1=O)CCC3=CC(=CC=C3)F)C

InChI

InChI=1S/C21H20ClFN2O2/c1-3-17-13(2)24-20(18-12-15(22)7-8-19(18)26)25(21(17)27)10-9-14-5-4-6-16(23)11-14/h4-8,11-12,24H,3,9-10H2,1-2H3/b20-18+