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

Systemtic Name: 3-[[4-(diethylamino)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-(diethylamino)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(diethylamino)-6-isopropyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-5-28(6-2)22-14-21(17(3)4)26-24(27-22)31-16-18-9-7-10-19(13-18)23(29)25-15-20-11-8-12-30-20/h7-14,17H,5-6,15-16H2,1-4H3,(H,25,29)