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

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(o-tolyl)acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21N5O3S/c1-5-23-14-15(21(3)18(26)22(4)16(14)25)20-17(23)27-10-13(24)19-12-9-7-6-8-11(12)2/h6-9H,5,10H2,1-4H3,(H,19,24)