4-[2-[3-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[3-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(7-benzyl-3-butyl-2,6-dioxo-purin-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-[3-butyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(7-benzyl-3-butyl-2,6-dioxopurin-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(7-benzyl-3-butyl-2,6-diketo-purin-1-yl)acetyl]amino]benzamide Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=C(C=C3)C(=O)N)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=C(C=C3)C(=O)N)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O4/c1-2-3-13-30-23-21(29(16-27-23)14-17-7-5-4-6-8-17)24(34)31(25(30)35)15-20(32)28-19-11-9-18(10-12-19)22(26)33/h4-12,16H,2-3,13-15H2,1H3,(H2,26,33)(H,28,32)