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

Systemtic Name: 6-[2-azanyl-5-(2-methoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-methoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-methoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-methoxyphenyl)-1H-pyrimidin-6-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-methoxyphenyl)-1H-pyrimidin-6-ylidene]-3-(4-bromobenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)N

Isomeric SMILES

COC1=CC=CC=C1C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)N

InChI

InChI=1S/C24H20BrN3O3/c1-30-22-5-3-2-4-18(22)20-13-27-24(26)28-23(20)19-11-10-17(12-21(19)29)31-14-15-6-8-16(25)9-7-15/h2-13H,14H2,1H3,(H3,26,27,28)