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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)NC(=O)C

InChI

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