4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)ethoxy]benzonitrile CAS Name: 4-[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)ethoxy]benzonitrile IUPAC Name: 4-[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)ethoxy]benzonitrile Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCOC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCOC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C16H14BrN5O3/c1-20-13-12(14(23)21(2)16(20)24)19-15(17)22(13)7-8-25-11-5-3-10(9-18)4-6-11/h3-6H,7-8H2,1-2H3