2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(5-methylpyridin-2-yl)ethanamide

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(5-methylpyridin-2-yl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(5-methyl-2-pyridyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(5-methyl-2-pyridinyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(5-methylpyridin-2-yl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(5-methyl-2-pyridyl)acetamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=NC=C(C=C4)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=NC=C(C=C4)C

InChI

InChI=1S/C22H22N6O3/c1-3-26-14-24-20-19(26)21(30)28(13-18(29)25-17-10-9-15(2)11-23-17)22(31)27(20)12-16-7-5-4-6-8-16/h4-11,14H,3,12-13H2,1-2H3,(H,23,25,29)