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

Systemtic Name: 6-[2-azanyl-5-(4-bromophenyl)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)cyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-ylidene]-3-(2-methylallyloxy)cyclohexa-2,4-dien-1-one Formula: C20H18BrN3O2 MolecularWeight: 412.27982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)C3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)C3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C20H18BrN3O2/c1-12(2)11-26-15-7-8-16(18(25)9-15)19-17(10-23-20(22)24-19)13-3-5-14(21)6-4-13/h3-10H,1,11H2,2H3,(H3,22,23,24)