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

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

Isomeric SMILES

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

InChI

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