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

Systemtic Name: 2-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methoxy]benzenecarbonitrile Openeye Name: 2-[(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methoxy]benzonitrile CAS Name: 2-[(3-butyl-7-methyl-2,6-dioxo-8-purinyl)methoxy]benzonitrile IUPAC Name: 2-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methoxy]benzonitrile Traditional Name: 2-[(3-butyl-2,6-diketo-7-methyl-purin-8-yl)methoxy]benzonitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3/c1-3-4-9-23-16-15(17(24)21-18(23)25)22(2)14(20-16)11-26-13-8-6-5-7-12(13)10-19/h5-8H,3-4,9,11H2,1-2H3,(H,21,24,25)