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

Systemtic Name: 2-[4-(3-methylphenoxy)butylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[4-(3-methylphenoxy)butylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(3-methylphenoxy)butylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[4-(3-methylphenoxy)butylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[4-(3-methylphenoxy)butylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S2/c1-16-8-7-11-18(14-16)27-12-5-6-13-28-23-24-21(26)20-19(15-29-22(20)25-23)17-9-3-2-4-10-17/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,24,25,26)