3,5,6-trimethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-13-14(2)28-18-17(13)20(26)23(3)21(22-18)27-12-15-6-8-16(9-7-15)19(25)24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3