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

Systemtic Name: 6-[2-azanyl-5-(2-bromanylphenoxy)-1H-pyrimidin-6-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-benzyloxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-bromophenoxy)-1H-pyrimidin-6-ylidene]-3-benzoxy-cyclohexa-2,4-dien-1-one Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=O)C(=C3C(=CN=C(N3)N)OC4=CC=CC=C4Br)C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=O)C(=C3C(=CN=C(N3)N)OC4=CC=CC=C4Br)C=C2

InChI

InChI=1S/C23H18BrN3O3/c24-18-8-4-5-9-20(18)30-21-13-26-23(25)27-22(21)17-11-10-16(12-19(17)28)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,25,26,27)