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

Systemtic Name: 6-[2-azanyl-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-ethenylphenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-vinylphenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-ethenylphenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-ethenylphenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(4-vinylbenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C26H23N3O4 MolecularWeight: 441.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)C=C)N

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)C=C)N

InChI

InChI=1S/C26H23N3O4/c1-3-17-4-6-18(7-5-17)16-32-21-12-13-22(23(30)14-21)25-24(15-28-26(27)29-25)33-20-10-8-19(31-2)9-11-20/h3-15H,1,16H2,2H3,(H3,27,28,29)