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

Systemtic Name: 2-[7-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-ethyl-ethanamide Openeye Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxo-purin-1-yl)-N-ethyl-acetamide CAS Name: 2-[7-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-ethylacetamide IUPAC Name: 2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-ethylacetamide Traditional Name: 2-(3-benzyl-7-cyclopentyl-2,6-diketo-purin-1-yl)-N-ethyl-acetamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1C(=O)C2=C(N=CN2C3CCCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)CN1C(=O)C2=C(N=CN2C3CCCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3/c1-2-22-17(27)13-25-20(28)18-19(23-14-26(18)16-10-6-7-11-16)24(21(25)29)12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,2,6-7,10-13H2,1H3,(H,22,27)