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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=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)28-14-15-7-9-16(10-8-15)20(26)22-13-18-6-5-11-27-18/h5-12H,4,13-14H2,1-3H3,(H,22,26)