4-(5-azanylpyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-azanylpyrimidin-2-yl)benzenecarbonitrile Openeye Name: 4-(5-aminopyrimidin-2-yl)benzonitrile CAS Name: 4-(5-amino-2-pyrimidinyl)benzonitrile IUPAC Name: 4-(5-aminopyrimidin-2-yl)benzonitrile Traditional Name: 4-(5-aminopyrimidin-2-yl)benzonitrile Formula: C11H8N4 MolecularWeight: 196.20802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC=C(C=N2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC=C(C=N2)N

InChI

InChI=1S/C11H8N4/c12-5-8-1-3-9(4-2-8)11-14-6-10(13)7-15-11/h1-4,6-7H,13H2