4-[(4-bromophenyl)-oxidanyl-pyrimidin-5-yl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-bromophenyl)-oxidanyl-pyrimidin-5-yl-methyl]benzenecarbonitrile Openeye Name: 4-[(4-bromophenyl)-hydroxy-pyrimidin-5-yl-methyl]benzonitrile CAS Name: 4-[(4-bromophenyl)-hydroxy-(5-pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(4-bromophenyl)-hydroxy-pyrimidin-5-ylmethyl]benzonitrile Traditional Name: 4-[(4-bromophenyl)-hydroxy-(5-pyrimidyl)methyl]benzonitrile Formula: C18H12BrN3O MolecularWeight: 366.21138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)Br)(C3=CN=CN=C3)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)Br)(C3=CN=CN=C3)O

InChI

InChI=1S/C18H12BrN3O/c19-17-7-5-15(6-8-17)18(23,16-10-21-12-22-11-16)14-3-1-13(9-20)2-4-14/h1-8,10-12,23H