2-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-amino-2-oxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 2-[(4-amino-2-oxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(4-amino-2-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-amino-2-keto-pyrimidin-1-yl)methyl]benzonitrile Formula: C12H10N4O MolecularWeight: 226.234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CC(=NC2=O)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CC(=NC2=O)N)C#N

InChI

InChI=1S/C12H10N4O/c13-7-9-3-1-2-4-10(9)8-16-6-5-11(14)15-12(16)17/h1-6H,8H2,(H2,14,15,17)