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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetamide Formula: C19H22N6O3S2 MolecularWeight: 446.54638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C)C)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=C(C(=C(S3)C)C)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N6O3S2/c1-6-7-25-14-15(23(4)19(28)24(5)17(14)27)22-18(25)29-9-13(26)21-16-12(8-20)10(2)11(3)30-16/h6-7,9H2,1-5H3,(H,21,26)