2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]-N-cyclooctyl-ethanamide

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]-N-cyclooctyl-ethanamide Openeye Name: N-cyclooctyl-2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-cyclooctyl-2-[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]acetamide IUPAC Name: N-cyclooctyl-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-cyclooctyl-2-(3,7-dibenzyl-2,6-diketo-purin-1-yl)acetamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O3/c35-25(31-24-16-10-2-1-3-11-17-24)20-34-28(36)26-27(30-21-32(26)18-22-12-6-4-7-13-22)33(29(34)37)19-23-14-8-5-9-15-23/h4-9,12-15,21,24H,1-3,10-11,16-20H2,(H,31,35)