2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-pyrrolidin-1-ylcarbonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-pyrrolidin-1-ylcarbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(pyrrolidine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-6-[oxo(1-pyrrolidinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(pyrrolidine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-6-(pyrrolidine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)N4CCCC4)C)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)N4CCCC4)C)C(=O)N2

InChI

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