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

Systemtic Name: 5-(4-methylphenyl)-2-pentylsulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-pentylsulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-(pentylthio)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-2-pentylsulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(amylthio)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2OS2 MolecularWeight: 384.55806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

Isomeric SMILES

CCCCCSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1CC=C

InChI

InChI=1S/C21H24N2OS2/c1-4-6-7-13-25-21-22-19-18(20(24)23(21)12-5-2)17(14-26-19)16-10-8-15(3)9-11-16/h5,8-11,14H,2,4,6-7,12-13H2,1,3H3