6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylsulfanylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylsulfanylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylsulfanylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[[4-(methylthio)phenyl]methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[(4-methylsulfanylphenyl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-[[4-(methylthio)benzyl]thio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N2OS3 MolecularWeight: 404.61236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C20H24N2OS3/c1-5-12(2)10-16-13(3)26-19-17(16)18(23)21-20(22-19)25-11-14-6-8-15(24-4)9-7-14/h6-9,12H,5,10-11H2,1-4H3,(H,21,22,23)/t12-/m0/s1