3-methoxy-4-(2-oxidanylidene-3,7-dihydropurin-8-yl)benzenecarbonitrile

Systemtic Name: 3-methoxy-4-(2-oxidanylidene-3,7-dihydropurin-8-yl)benzenecarbonitrile Openeye Name: 3-methoxy-4-(2-oxo-3,7-dihydropurin-8-yl)benzonitrile CAS Name: 3-methoxy-4-(2-oxo-3,7-dihydropurin-8-yl)benzonitrile IUPAC Name: 3-methoxy-4-(2-oxo-3,7-dihydropurin-8-yl)benzonitrile Traditional Name: 4-(2-keto-3,7-dihydropurin-8-yl)-3-methoxy-benzonitrile Formula: C13H9N5O2 MolecularWeight: 267.24286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)C2=NC3=C(N2)C=NC(=O)N3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)C2=NC3=C(N2)C=NC(=O)N3

InChI

InChI=1S/C13H9N5O2/c1-20-10-4-7(5-14)2-3-8(10)11-16-9-6-15-13(19)18-12(9)17-11/h2-4,6H,1H3,(H2,15,16,17,18,19)