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

Systemtic Name: 2-[[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methoxy]benzenecarbonitrile Openeye Name: 2-[(3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methoxy]benzonitrile CAS Name: 2-[[7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methoxy]benzonitrile IUPAC Name: 2-[(3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methoxy]benzonitrile Traditional Name: 2-[(3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methoxy]benzonitrile Formula: C24H23N5O3 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=CC=CC=C4C#N

InChI

InChI=1S/C24H23N5O3/c1-2-3-13-28-20(16-32-19-12-8-7-11-18(19)14-25)26-22-21(28)23(30)27-24(31)29(22)15-17-9-5-4-6-10-17/h4-12H,2-3,13,15-16H2,1H3,(H,27,30,31)