3-prop-2-enyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-prop-2-enyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4)SC=C2

InChI

InChI=1S/C21H21N3O2S2/c1-2-10-24-20(26)17-9-13-27-18(17)22-21(24)28-14-15-5-7-16(8-6-15)19(25)23-11-3-4-12-23/h2,5-9,13H,1,3-4,10-12,14H2