3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N(C)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N(C)C

InChI

InChI=1S/C21H24N4O2S/c1-4-17-12-19(25(2)3)24-21(23-17)28-14-15-7-5-8-16(11-15)20(26)22-13-18-9-6-10-27-18/h5-12H,4,13-14H2,1-3H3,(H,22,26)