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

Systemtic Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(3-methylphenoxy)ethylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(3-methylphenoxy)ethylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[2-(3-methylphenoxy)ethylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2O2S2 MolecularWeight: 394.50982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H18N2O2S2/c1-14-6-5-9-16(12-14)25-10-11-26-21-22-19(24)18-17(13-27-20(18)23-21)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,22,23,24)