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

Systemtic Name: 4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-pyridylmethyl)benzamide CAS Name: 4-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 4-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 4-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(4-pyridylmethyl)benzamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=NC=C3)N(CC)CC

InChI

InChI=1S/C24H29N5OS/c1-4-21-15-22(29(5-2)6-3)28-24(27-21)31-17-19-7-9-20(10-8-19)23(30)26-16-18-11-13-25-14-12-18/h7-15H,4-6,16-17H2,1-3H3,(H,26,30)