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

Systemtic Name: 2-[4-(2-methylphenoxy)butylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-isopropylphenyl)-2-[4-(2-methylphenoxy)butylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(2-methylphenoxy)butylthio]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(2-methylphenoxy)butylsulfanyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(2-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=CC=C1OCCCCSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=CS3)C4=CC=C(C=C4)C(C)C)C(=O)N2

InChI

InChI=1S/C26H28N2O2S2/c1-17(2)19-10-12-20(13-11-19)21-16-32-25-23(21)24(29)27-26(28-25)31-15-7-6-14-30-22-9-5-4-8-18(22)3/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3,(H,27,28,29)