4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzenecarbonitrile Openeye Name: 4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)oxybenzonitrile CAS Name: 4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)oxy]benzonitrile IUPAC Name: 4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)oxybenzonitrile Traditional Name: 4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)oxybenzonitrile Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H13N5O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-10-6-4-9(8-16)5-7-10/h4-7H,1-3H3