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

Systemtic Name: 4-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methoxy]benzenecarbonitrile Openeye Name: 4-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methoxy]benzonitrile CAS Name: 4-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methoxy]benzonitrile IUPAC Name: 4-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methoxy]benzonitrile Traditional Name: 4-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methoxy]benzonitrile Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=CC=C(C=C3)C#N)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=CC=C(C=C3)C#N)CCC

InChI

InChI=1S/C20H23N5O3/c1-3-5-11-25-18-17(19(26)23-20(25)27)24(10-4-2)16(22-18)13-28-15-8-6-14(12-21)7-9-15/h6-9H,3-5,10-11,13H2,1-2H3,(H,23,26,27)