2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-oxidanylbutyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-oxidanylbutyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-hydroxybutyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-hydroxybutyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-hydroxybutyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(4-hydroxybutyl)thieno[3,2-d]pyrimidin-4-one Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCCO)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CCCCO)SC=C3

InChI

InChI=1S/C19H22N2O2S2/c1-13-5-6-14(2)15(11-13)12-25-19-20-16-7-10-24-17(16)18(23)21(19)8-3-4-9-22/h5-7,10-11,22H,3-4,8-9,12H2,1-2H3