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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(2-pyrrolidinophenyl)acetamide Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4N5CCCC5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4N5CCCC5

InChI

InChI=1S/C26H28N6O3/c1-2-29-18-27-24-23(29)25(34)32(26(35)31(24)16-19-10-4-3-5-11-19)17-22(33)28-20-12-6-7-13-21(20)30-14-8-9-15-30/h3-7,10-13,18H,2,8-9,14-17H2,1H3,(H,28,33)