N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,5,6-trimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(3,5,6-trimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3,5,6-trimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H24N4O4S3 MolecularWeight: 492.63466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

InChI

InChI=1S/C21H24N4O4S3/c1-13-14(2)31-19-18(13)20(27)24(3)21(23-19)30-12-17(26)22-15-6-8-16(9-7-15)32(28,29)25-10-4-5-11-25/h6-9H,4-5,10-12H2,1-3H3,(H,22,26)