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

Systemtic Name: N-(cyclopentylcarbamoyl)-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-(cyclopentylcarbamoyl)acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(cyclopentylcarbamoyl)acetamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)NC4CCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC(=O)NC4CCCC4

InChI

InChI=1S/C22H26N6O4/c1-2-26-14-23-19-18(26)20(30)28(22(32)27(19)12-15-8-4-3-5-9-15)13-17(29)25-21(31)24-16-10-6-7-11-16/h3-5,8-9,14,16H,2,6-7,10-13H2,1H3,(H2,24,25,29,31)