2-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3-methyl-2-pyridyl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-methyl-2-pyridinyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(3-methyl-2-pyridyl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CC=C1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-16-6-5-11-22-19(16)15-27-13-12-23-21-24-14-18(20(26)25-21)10-9-17-7-3-2-4-8-17/h2-8,11,14H,9-10,12-13,15H2,1H3,(H2,23,24,25,26)