2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCOC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCOC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H26N2O2S2/c1-16-5-7-17(8-6-16)20-15-31-23-21(20)22(28)26-24(27-23)30-14-13-29-19-11-9-18(10-12-19)25(2,3)4/h5-12,15H,13-14H2,1-4H3,(H,26,27,28)