2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCCOC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCCOC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

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