N-cycloheptyl-2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-cycloheptyl-2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-cycloheptyl-acetamide CAS Name: 2-[[5-acetyl-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[5-acetyl-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-cycloheptylacetamide Traditional Name: 2-[[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]-N-cycloheptyl-acetamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NC3CCCCCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SCC(=O)NC3CCCCCC3)C(=O)C

InChI

InChI=1S/C20H25N3O3S/c1-13-18(14(2)24)20(23-19(21-13)16-10-7-11-26-16)27-12-17(25)22-15-8-5-3-4-6-9-15/h7,10-11,15H,3-6,8-9,12H2,1-2H3,(H,22,25)