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

Systemtic Name: 2-(4-phenoxybutylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-phenoxybutylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-phenoxybutylthio)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(4-phenoxybutylsulfanyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-phenoxybutylthio)-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:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCCOC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O2S2/c25-20-19-18(16-9-3-1-4-10-16)15-28-21(19)24-22(23-20)27-14-8-7-13-26-17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H,23,24,25)