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

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-(3-methylphenoxy)propylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-(3-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(=CC=C1)OCCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

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

InChI

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