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

Systemtic Name: N-(cyclohexylmethyl)-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-(cyclohexylmethyl)acetamide CAS Name: N-(cyclohexylmethyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(cyclohexylmethyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(cyclohexylmethyl)acetamide Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC4CCCCC4

InChI

InChI=1S/C23H29N5O3/c1-2-26-16-25-21-20(26)22(30)28(15-19(29)24-13-17-9-5-3-6-10-17)23(31)27(21)14-18-11-7-4-8-12-18/h4,7-8,11-12,16-17H,2-3,5-6,9-10,13-15H2,1H3,(H,24,29)