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

Systemtic Name: (6E)-6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=CC=C3Br)C=C1

Isomeric SMILES

CCOC1=CC(=O)/C(=C/2\C(=CN=C(N2)N)OC3=CC=CC=C3Br)/C=C1

InChI

InChI=1S/C18H16BrN3O3/c1-2-24-11-7-8-12(14(23)9-11)17-16(10-21-18(20)22-17)25-15-6-4-3-5-13(15)19/h3-10H,2H2,1H3,(H3,20,21,22)/b17-12+