3-butyl-5,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-5,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-5,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-5,6-dimethyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-5,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-5,6-dimethyl-2-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H27N3O4S3 MolecularWeight: 481.65178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)SC(=C2C)C

InChI

InChI=1S/C21H27N3O4S3/c1-4-5-12-24-20(25)18-14(2)15(3)30-19(18)22-21(24)29-13-16-8-9-17(28-16)31(26,27)23-10-6-7-11-23/h8-9H,4-7,10-13H2,1-3H3