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

Systemtic Name: 3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-4-19-14-21(27(5-2)6-3)26-23(25-19)30-16-17-9-7-10-18(13-17)22(28)24-15-20-11-8-12-29-20/h7-14H,4-6,15-16H2,1-3H3,(H,24,28)