2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(3-pyridylmethyl)acetamide Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-14-17(10-18(25)22-12-16-8-5-9-21-11-16)19(26)24-20(23-14)27-13-15-6-3-2-4-7-15/h2-9,11H,10,12-13H2,1H3,(H,22,25)(H,23,24,26)