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

Systemtic Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-(4-methylphenoxy)propylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-(4-methylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-(4-methylphenoxy)propylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)OCCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H20N2O2S2/c1-15-8-10-17(11-9-15)26-12-5-13-27-22-23-20(25)19-18(14-28-21(19)24-22)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,23,24,25)