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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C19H20N4O4S3 MolecularWeight: 464.5815

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4)SC=C2

InChI

InChI=1S/C19H20N4O4S3/c1-22-18(25)15-7-10-28-17(15)21-19(22)29-12-16(24)20-13-5-4-6-14(11-13)30(26,27)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,20,24)