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

Systemtic Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(pyrimidin-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(pyrimidin-5-yl)amino]benzonitrile CAS Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(5-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[2,1,3-benzoxadiazol-5-ylmethyl(pyrimidin-5-yl)amino]benzonitrile Traditional Name: 4-[benzofurazan-5-ylmethyl(5-pyrimidyl)amino]benzonitrile Formula: C18H12N6O MolecularWeight: 328.32748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(CC2=CC3=NON=C3C=C2)C4=CN=CN=C4

Isomeric SMILES

C1=CC(=CC=C1C#N)N(CC2=CC3=NON=C3C=C2)C4=CN=CN=C4

InChI

InChI=1S/C18H12N6O/c19-8-13-1-4-15(5-2-13)24(16-9-20-12-21-10-16)11-14-3-6-17-18(7-14)23-25-22-17/h1-7,9-10,12H,11H2