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

Systemtic Name: 6-[2-azanyl-5-(2-bromanylphenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-bromophenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-bromophenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-bromophenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-bromophenoxy)-6-methyl-1H-pyrimidin-4-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC(=CC2=O)OCC(=C)C)N=C(N1)N)OC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=C2C=CC(=CC2=O)OCC(=C)C)N=C(N1)N)OC3=CC=CC=C3Br

InChI

InChI=1S/C21H20BrN3O3/c1-12(2)11-27-14-8-9-15(17(26)10-14)19-20(13(3)24-21(23)25-19)28-18-7-5-4-6-16(18)22/h4-10H,1,11H2,2-3H3,(H3,23,24,25)