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

Systemtic Name: 2-(4-phenoxybutylsulfanyl)-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-isopropylphenyl)-2-(4-phenoxybutylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-phenoxybutylthio)-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(4-phenoxybutylsulfanyl)-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-p-cumenyl-2-(4-phenoxybutylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O2S2/c1-17(2)18-10-12-19(13-11-18)21-16-31-24-22(21)23(28)26-25(27-24)30-15-7-6-14-29-20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,26,27,28)