N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C18H20N6O3S2 MolecularWeight: 432.5198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C)C)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C)C)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N6O3S2/c1-6-24-13-14(22(4)18(27)23(5)16(13)26)21-17(24)28-8-12(25)20-15-11(7-19)9(2)10(3)29-15/h6,8H2,1-5H3,(H,20,25)