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

Systemtic Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-(3-methylphenoxy)propylthio]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-(3-methylphenoxy)propylsulfanyl]-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-(3-methylphenoxy)propylthio]-5-(p-tolyl)-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=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCOC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCOC4=CC=CC(=C4)C

InChI

InChI=1S/C23H22N2O2S2/c1-15-7-9-17(10-8-15)19-14-29-22-20(19)21(26)24-23(25-22)28-12-4-11-27-18-6-3-5-16(2)13-18/h3,5-10,13-14H,4,11-12H2,1-2H3,(H,24,25,26)