3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-isopentyl-2-(p-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-2-[(4-methylphenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(3-methylbutyl)-2-[(4-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-isoamyl-2-[(4-methylbenzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C19H22N2OS2 MolecularWeight: 358.52078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3

InChI

InChI=1S/C19H22N2OS2/c1-13(2)8-10-21-18(22)17-16(9-11-23-17)20-19(21)24-12-15-6-4-14(3)5-7-15/h4-7,9,11,13H,8,10,12H2,1-3H3