4-[(5-azanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(5-azanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzenecarbonitrile Openeye Name: 4-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile CAS Name: 4-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile IUPAC Name: 4-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile Traditional Name: 4-[(5-amino-6-keto-1H-pyrimidin-2-yl)amino]benzonitrile Formula: C11H9N5O MolecularWeight: 227.22206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=C(C(=O)N2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=C(C(=O)N2)N

InChI

InChI=1S/C11H9N5O/c12-5-7-1-3-8(4-2-7)15-11-14-6-9(13)10(17)16-11/h1-4,6H,13H2,(H2,14,15,16,17)