2-[4-(4-methylphenoxy)butylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-isopropylphenyl)-2-[4-(4-methylphenoxy)butylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(4-methylphenoxy)butylthio]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(4-methylphenoxy)butylthio]-5-p-cumenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H28N2O2S2 MolecularWeight: 464.64272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

InChI

InChI=1S/C26H28N2O2S2/c1-17(2)19-8-10-20(11-9-19)22-16-32-25-23(22)24(29)27-26(28-25)31-15-5-4-14-30-21-12-6-18(3)7-13-21/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28,29)