2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methoxy]benzenecarbonitrile

Systemtic Name: 2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methoxy]benzenecarbonitrile Openeye Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methoxy]benzonitrile CAS Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methoxy]benzonitrile IUPAC Name: 2-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methoxy]benzonitrile Traditional Name: 2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methoxy]benzonitrile Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=CC=CC=C3C#N)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=CC=CC=C3C#N)CC

InChI

InChI=1S/C19H21N5O3/c1-3-5-10-24-17-16(18(25)22-19(24)26)23(4-2)15(21-17)12-27-14-9-7-6-8-13(14)11-20/h6-9H,3-5,10,12H2,1-2H3,(H,22,25,26)