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

Systemtic Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[4-(4-methylphenoxy)butylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(4-methylphenoxy)butylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-methylphenoxy)butylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[4-(4-methylphenoxy)butylthio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H28N2O2S2 MolecularWeight: 476.65342

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=C(C=C4)C)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S2/c1-4-15-29-26(30)24-23(21-11-7-19(2)8-12-21)18-33-25(24)28-27(29)32-17-6-5-16-31-22-13-9-20(3)10-14-22/h4,7-14,18H,1,5-6,15-17H2,2-3H3