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

Systemtic Name: 6-[2-azanyl-5-(2-ethoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(2-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-ethoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(2-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-ethoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(2-chlorophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-ethoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(2-chlorophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-ethoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-chlorobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C25H22ClN3O4 MolecularWeight: 463.91288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=CC=C4Cl)N

Isomeric SMILES

CCOC1=CC=CC=C1OC2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C25H22ClN3O4/c1-2-31-21-9-5-6-10-22(21)33-23-14-28-25(27)29-24(23)18-12-11-17(13-20(18)30)32-15-16-7-3-4-8-19(16)26/h3-14H,2,15H2,1H3,(H3,27,28,29)