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

Systemtic Name: 4-[2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)acetyl]amino]benzamide CAS Name: 4-[[2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)acetyl]amino]benzamide Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C26H26N6O4/c27-23(34)18-10-12-19(13-11-18)29-21(33)15-31-25(35)22-24(28-16-32(22)20-8-4-5-9-20)30(26(31)36)14-17-6-2-1-3-7-17/h1-3,6-7,10-13,16,20H,4-5,8-9,14-15H2,(H2,27,34)(H,29,33)