5-[[2-(aminomethyl)morpholin-4-yl]methyl]-4-(3,5-dimethylphenyl)sulfanyl-3-iodanyl-6-methyl-1H-pyridin-2-one

Systemtic Name: 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-4-(3,5-dimethylphenyl)sulfanyl-3-iodanyl-6-methyl-1H-pyridin-2-one Openeye Name: 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-4-(3,5-dimethylphenyl)sulfanyl-3-iodo-6-methyl-1H-pyridin-2-one CAS Name: 5-[[2-(aminomethyl)-4-morpholinyl]methyl]-4-[(3,5-dimethylphenyl)thio]-3-iodo-6-methyl-1H-pyridin-2-one IUPAC Name: 5-[[2-(aminomethyl)morpholin-4-yl]methyl]-4-(3,5-dimethylphenyl)sulfanyl-3-iodo-6-methyl-1H-pyridin-2-one Traditional Name: 5-[[2-(aminomethyl)morpholino]methyl]-4-[(3,5-dimethylphenyl)thio]-3-iodo-6-methyl-2-pyridone Formula: C20H26IN3O2S MolecularWeight: 499.40881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3CCOC(C3)CN)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3CCOC(C3)CN)C)I)C

InChI

InChI=1S/C20H26IN3O2S/c1-12-6-13(2)8-16(7-12)27-19-17(14(3)23-20(25)18(19)21)11-24-4-5-26-15(9-22)10-24/h6-8,15H,4-5,9-11,22H2,1-3H3,(H,23,25)