2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(6-methylpyridin-2-yl)ethanamide

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(6-methylpyridin-2-yl)ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(6-methyl-2-pyridyl)acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(6-methyl-2-pyridinyl)acetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(6-methylpyridin-2-yl)acetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(6-methyl-2-pyridyl)acetamide Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=N3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=N3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N6O3S/c1-5-23-13-14(21(3)17(26)22(4)15(13)25)20-16(23)27-9-12(24)19-11-8-6-7-10(2)18-11/h6-8H,5,9H2,1-4H3,(H,18,19,24)