6-(2-azanyl-5-phenyl-1H-pyrimidin-6-ylidene)-3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-(2-azanyl-5-phenyl-1H-pyrimidin-6-ylidene)-3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-(2-amino-5-phenyl-1H-pyrimidin-6-ylidene)-3-[(2-chloro-6-fluoro-phenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-(2-amino-5-phenyl-1H-pyrimidin-6-ylidene)-3-[(2-chloro-6-fluorophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(2-amino-5-phenyl-1H-pyrimidin-6-ylidene)-3-[(2-chloro-6-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-(2-amino-5-phenyl-1H-pyrimidin-6-ylidene)-3-(2-chloro-6-fluoro-benzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C23H17ClFN3O2 MolecularWeight: 421.851383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=C(C=CC=C4Cl)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=C(C=CC=C4Cl)F)N

InChI

InChI=1S/C23H17ClFN3O2/c24-19-7-4-8-20(25)18(19)13-30-15-9-10-16(21(29)11-15)22-17(12-27-23(26)28-22)14-5-2-1-3-6-14/h1-12H,13H2,(H3,26,27,28)