3-(3,4-dimethylphenyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(3,4-dimethylphenyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-(phenylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-(3,4-dimethylphenyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(3,4-dimethylphenyl)thieno[3,2-d]pyrimidin-4-one Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N2OS2/c1-14-8-9-17(12-15(14)2)23-20(24)19-18(10-11-25-19)22-21(23)26-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3