4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]-3-methoxy-benzenecarbonitrile Openeye Name: 4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxy-benzonitrile CAS Name: 4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxybenzonitrile IUPAC Name: 4-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-methoxybenzonitrile Traditional Name: 4-(2,6-diketo-3,7-dihydropurin-8-yl)-3-methoxy-benzonitrile Formula: C13H9N5O3 MolecularWeight: 283.24226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O3/c1-21-8-4-6(5-14)2-3-7(8)10-15-9-11(16-10)17-13(20)18-12(9)19/h2-4H,1H3,(H3,15,16,17,18,19,20)