N-[4-[1-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-2-phenyl-ethyl]phenyl]ethanamide

Systemtic Name: N-[4-[1-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-2-phenyl-ethyl]phenyl]ethanamide Openeye Name: N-[4-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)-2-phenyl-ethyl]phenyl]acetamide CAS Name: N-[4-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)-2-phenylethyl]phenyl]acetamide IUPAC Name: N-[4-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)-2-phenylethyl]phenyl]acetamide Traditional Name: N-[4-[1-(3-butyl-2,6-diketo-7H-purin-8-yl)-2-phenyl-ethyl]phenyl]acetamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C(CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C(CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H27N5O3/c1-3-4-14-30-23-21(24(32)29-25(30)33)27-22(28-23)20(15-17-8-6-5-7-9-17)18-10-12-19(13-11-18)26-16(2)31/h5-13,20H,3-4,14-15H2,1-2H3,(H,26,31)(H,27,28)(H,29,32,33)