3-[(4-bromophenyl)methoxy]-6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-[(4-bromophenyl)methoxy]-6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-[(4-bromophenyl)methoxy]-6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-[(4-bromophenyl)methoxy]-6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-[(4-bromophenyl)methoxy]-6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(4-bromobenzyl)oxy-6-[5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=CNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=CNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C25H21BrN2O4/c1-30-23-10-5-17(11-24(23)31-2)21-13-27-15-28-25(21)20-9-8-19(12-22(20)29)32-14-16-3-6-18(26)7-4-16/h3-13,15H,14H2,1-2H3,(H,27,28)