2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-hexyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-hexyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-hexyl-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylthio]ethylamino]-5-hexyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(dimethylaminomethyl)phenyl]methylsulfanyl]ethylamino]-5-hexyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(dimethylaminomethyl)benzyl]thio]ethylamino]-5-hexyl-1H-pyrimidin-6-one Formula: C22H34N4OS MolecularWeight: 402.59656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(NC1=O)NCCSCC2=CC=CC(=C2)CN(C)C

Isomeric SMILES

CCCCCCC1=CN=C(NC1=O)NCCSCC2=CC=CC(=C2)CN(C)C

InChI

InChI=1S/C22H34N4OS/c1-4-5-6-7-11-20-15-24-22(25-21(20)27)23-12-13-28-17-19-10-8-9-18(14-19)16-26(2)3/h8-10,14-15H,4-7,11-13,16-17H2,1-3H3,(H2,23,24,25,27)