3-methyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-methyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O2S3 MolecularWeight: 467.62674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4)SC=C2C5=CC=CS5

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4)SC=C2C5=CC=CS5

InChI

InChI=1S/C23H21N3O2S3/c1-25-22(28)19-17(18-5-4-12-29-18)14-30-20(19)24-23(25)31-13-15-6-8-16(9-7-15)21(27)26-10-2-3-11-26/h4-9,12,14H,2-3,10-11,13H2,1H3