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

Systemtic Name: 6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=CC=C3Br)C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=CC=C3Br)C=C1

InChI

InChI=1S/C17H14BrN3O3/c1-23-10-6-7-11(13(22)8-10)16-15(9-20-17(19)21-16)24-14-5-3-2-4-12(14)18/h2-9H,1H3,(H3,19,20,21)