3-methoxy-4-(7H-purin-8-yl)benzenecarbonitrile

Systemtic Name: 3-methoxy-4-(7H-purin-8-yl)benzenecarbonitrile Openeye Name: 3-methoxy-4-(7H-purin-8-yl)benzonitrile CAS Name: 3-methoxy-4-(7H-purin-8-yl)benzonitrile IUPAC Name: 3-methoxy-4-(7H-purin-8-yl)benzonitrile Traditional Name: 3-methoxy-4-(7H-purin-8-yl)benzonitrile Formula: C13H9N5O MolecularWeight: 251.24346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)C2=NC3=NC=NC=C3N2

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C13H9N5O/c1-19-11-4-8(5-14)2-3-9(11)12-17-10-6-15-7-16-13(10)18-12/h2-4,6-7H,1H3,(H,15,16,17,18)