(6E)-6-[2-azanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-2-bromanyl-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[2-azanyl-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-2-bromanyl-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-2-bromo-4-chloro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-2-bromo-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-2-bromo-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-4-(4-methoxyphenyl)-1H-pyrimidin-6-ylidene]-2-bromo-4-chloro-cyclohexa-2,4-dien-1-one Formula: C17H13BrClN3O2 MolecularWeight: 406.66102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C=C(C=C(C3=O)Br)Cl)NC(=N2)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C/C(=C\3/C=C(C=C(C3=O)Br)Cl)/NC(=N2)N

InChI

InChI=1S/C17H13BrClN3O2/c1-24-11-4-2-9(3-5-11)14-8-15(22-17(20)21-14)12-6-10(19)7-13(18)16(12)23/h2-8H,1H3,(H3,20,21,22)/b15-12+