1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H23N3O3S3/c1-13-14(2)29-21-19(13)20(22-15(3)23-21)28-12-18(25)16-6-8-17(9-7-16)30(26,27)24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3