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

Systemtic Name: 3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-(diethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H26N4O2S/c1-4-26(5-2)20-12-16(3)24-22(25-20)29-15-17-8-6-9-18(13-17)21(27)23-14-19-10-7-11-28-19/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)