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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(phenylmethyl)-N-pyridin-2-yl-ethanamide Openeye Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-pyridyl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)-N-(2-pyridinyl)acetamide IUPAC Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide Traditional Name: N-benzyl-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-pyridyl)acetamide Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H20N6O3/c1-24-19-18(20(29)25(2)21(24)30)26(14-23-19)13-17(28)27(16-10-6-7-11-22-16)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3