N-cyclopropyl-3-[2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanoylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=CC(=C4)C(=O)NC5CC5

InChI

InChI=1S/C26H26N6O4/c1-2-30-16-27-23-22(30)25(35)32(26(36)31(23)14-17-7-4-3-5-8-17)15-21(33)28-20-10-6-9-18(13-20)24(34)29-19-11-12-19/h3-10,13,16,19H,2,11-12,14-15H2,1H3,(H,28,33)(H,29,34)