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

Systemtic Name: N-cyclohexyl-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-cyclohexylacetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-cyclohexyl-acetamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4CCCCC4

InChI

InChI=1S/C22H27N5O3/c1-2-25-15-23-20-19(25)21(29)27(14-18(28)24-17-11-7-4-8-12-17)22(30)26(20)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,2,4,7-8,11-14H2,1H3,(H,24,28)