4-[(6-oxidanylidene-7H-purin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(6-oxidanylidene-7H-purin-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(6-oxo-7H-purin-3-yl)methyl]benzonitrile CAS Name: 4-[(6-oxo-7H-purin-3-yl)methyl]benzonitrile IUPAC Name: 4-[(6-oxo-7H-purin-3-yl)methyl]benzonitrile Traditional Name: 4-[(6-keto-7H-purin-3-yl)methyl]benzonitrile Formula: C13H9N5O MolecularWeight: 251.24346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=O)C3=C2N=CN3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=O)C3=C2N=CN3)C#N

InChI

InChI=1S/C13H9N5O/c14-5-9-1-3-10(4-2-9)6-18-8-17-13(19)11-12(18)16-7-15-11/h1-4,7-8H,6H2,(H,15,16)