N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=C(C(=C(S3)C)C)C#N

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC(=O)NC3=C(C(=C(S3)C)C)C#N

InChI

InChI=1S/C21H20N4O2S2/c1-13-9-19(27)25(21(23-13)28-12-16-7-5-4-6-8-16)11-18(26)24-20-17(10-22)14(2)15(3)29-20/h4-9H,11-12H2,1-3H3,(H,24,26)