4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 4-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 4-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=N3)N(CC)CC

InChI

InChI=1S/C25H31N5OS/c1-4-21-17-23(30(5-2)6-3)29-25(28-21)32-18-19-10-12-20(13-11-19)24(31)27-16-14-22-9-7-8-15-26-22/h7-13,15,17H,4-6,14,16,18H2,1-3H3,(H,27,31)