5-(4-methylphenyl)-2-(4-phenoxybutylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-(4-phenoxybutylsulfanyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(4-phenoxybutylsulfanyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(4-phenoxybutylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-(4-phenoxybutylsulfanyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(4-phenoxybutylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C26H26N2O2S2 MolecularWeight: 462.62684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCCOC4=CC=CC=C4)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCCCCOC4=CC=CC=C4)CC=C

InChI

InChI=1S/C26H26N2O2S2/c1-3-15-28-25(29)23-22(20-13-11-19(2)12-14-20)18-32-24(23)27-26(28)31-17-8-7-16-30-21-9-5-4-6-10-21/h3-6,9-14,18H,1,7-8,15-17H2,2H3