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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C21H27N3O4S3/c1-4-13(2)11-16-14(3)30-20-18(16)19(25)22-21(23-20)29-12-15-7-8-17(28-15)31(26,27)24-9-5-6-10-24/h7-8,13H,4-6,9-12H2,1-3H3,(H,22,23,25)