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

Systemtic Name: 6-[2-azanyl-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-(4-bromobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C25H22BrN3O4 MolecularWeight: 508.36388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)N)OC

InChI

InChI=1S/C25H22BrN3O4/c1-31-22-10-5-16(11-23(22)32-2)20-13-28-25(27)29-24(20)19-9-8-18(12-21(19)30)33-14-15-3-6-17(26)7-4-15/h3-13H,14H2,1-2H3,(H3,27,28,29)