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

Systemtic Name: 6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-methylphenyl)methoxy]cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(p-tolylmethoxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-methylphenyl)methoxy]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-[(4-methylphenyl)methoxy]cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-(4-methylbenzyl)oxy-cyclohexa-2,4-dien-1-one Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC(=O)C(=C3C(=CN=C(N3)N)OC4=CC=CC=C4Br)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC(=O)C(=C3C(=CN=C(N3)N)OC4=CC=CC=C4Br)C=C2

InChI

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