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

Systemtic Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-furylmethyl)benzamide CAS Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 3-[[4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-[cyclohexyl(methyl)amino]-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(2-furfuryl)benzamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N(C)C4CCCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)N(C)C4CCCCC4

InChI

InChI=1S/C25H30N4O2S/c1-18-14-23(29(2)21-10-4-3-5-11-21)28-25(27-18)32-17-19-8-6-9-20(15-19)24(30)26-16-22-12-7-13-31-22/h6-9,12-15,21H,3-5,10-11,16-17H2,1-2H3,(H,26,30)