6-[2-azanyl-5-(2-methoxyphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(2-methoxyphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-methoxyphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-methoxyphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-methoxyphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-methoxyphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-(4-fluorobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C25H22FN3O4 MolecularWeight: 447.458283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OCC3=CC=C(C=C3)F)N=C(N1)N)OC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OCC3=CC=C(C=C3)F)N=C(N1)N)OC4=CC=CC=C4OC

InChI

InChI=1S/C25H22FN3O4/c1-15-24(33-22-6-4-3-5-21(22)31-2)23(29-25(27)28-15)19-12-11-18(13-20(19)30)32-14-16-7-9-17(26)10-8-16/h3-13H,14H2,1-2H3,(H3,27,28,29)