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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(2-pyridylmethyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(2-pyridylmethyl)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)NCC4=CC=CC=N4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H22N6O3/c1-2-26-15-25-20-19(26)21(30)28(14-18(29)24-12-17-10-6-7-11-23-17)22(31)27(20)13-16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,24,29)