2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-4-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-4-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-4-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[1-(4-methoxyphenyl)ethyl]-2-thiomorpholin-4-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-4-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]thiomorpholin-4-ium-2-yl]acetamide Formula: C23H29N6O2S+ MolecularWeight: 453.58036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCSC(C3)CC(=O)N)C(C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCSC(C3)CC(=O)N)C(C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N6O2S/c1-16-12-22(27-23(26-16)28-9-8-25-15-28)29(10-11-32-20(14-29)13-21(24)30)17(2)18-4-6-19(31-3)7-5-18/h4-9,12,15,17,20H,10-11,13-14H2,1-3H3,(H-,24,30)/p+1