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

Systemtic Name: 4-[2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)acetyl]amino]benzamide Formula: C26H28N6O4 MolecularWeight: 488.53832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C26H28N6O4/c1-17(2)12-13-30-16-28-24-22(30)25(35)32(26(36)31(24)14-18-6-4-3-5-7-18)15-21(33)29-20-10-8-19(9-11-20)23(27)34/h3-11,16-17H,12-15H2,1-2H3,(H2,27,34)(H,29,33)