4-[2,1,3-benzoxadiazol-5-yl(pyrimidin-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[2,1,3-benzoxadiazol-5-yl(pyrimidin-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[2,1,3-benzoxadiazol-5-yl(pyrimidin-5-yl)amino]benzonitrile CAS Name: 4-[2,1,3-benzoxadiazol-5-yl(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[2,1,3-benzoxadiazol-5-yl(pyrimidin-5-yl)amino]benzonitrile Traditional Name: 4-[benzofurazan-5-yl(5-pyrimidyl)amino]benzonitrile Formula: C17H10N6O MolecularWeight: 314.3009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C2=CC3=NON=C3C=C2)C4=CN=CN=C4

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C2=CC3=NON=C3C=C2)C4=CN=CN=C4

InChI

InChI=1S/C17H10N6O/c18-8-12-1-3-13(4-2-12)23(15-9-19-11-20-10-15)14-5-6-16-17(7-14)22-24-21-16/h1-7,9-11H