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

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3,7-bis(phenylmethyl)purin-1-yl]-N-cyclohexyl-ethanamide Openeye Name: N-cyclohexyl-2-(3,7-dibenzyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-cyclohexyl-2-[2,6-dioxo-3,7-bis(phenylmethyl)-1-purinyl]acetamide IUPAC Name: N-cyclohexyl-2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-cyclohexyl-2-(3,7-dibenzyl-2,6-diketo-purin-1-yl)acetamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O3/c33-23(29-22-14-8-3-9-15-22)18-32-26(34)24-25(28-19-30(24)16-20-10-4-1-5-11-20)31(27(32)35)17-21-12-6-2-7-13-21/h1-2,4-7,10-13,19,22H,3,8-9,14-18H2,(H,29,33)