3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N(CC)CC

InChI

InChI=1S/C21H30N4O2S/c1-5-18-14-19(25(6-2)7-3)24-21(23-18)28-15-16-9-8-10-17(13-16)20(26)22-11-12-27-4/h8-10,13-14H,5-7,11-12,15H2,1-4H3,(H,22,26)