(2S)-N-(2,4-dimethylphenyl)-2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-[5-ethanoyl-2-(furan-2-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-2-[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-(2,4-dimethylphenyl)propanamide CAS Name: (2S)-2-[[5-acetyl-2-(2-furanyl)-6-methyl-4-pyrimidinyl]thio]-N-(2,4-dimethylphenyl)propanamide IUPAC Name: (2S)-2-[5-acetyl-2-(furan-2-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-(2,4-dimethylphenyl)propanamide Traditional Name: (2S)-2-[[5-acetyl-2-(2-furyl)-6-methyl-pyrimidin-4-yl]thio]-N-(2,4-dimethylphenyl)propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC(=NC(=C2C(=O)C)C)C3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC(=NC(=C2C(=O)C)C)C3=CC=CO3)C

InChI

InChI=1S/C22H23N3O3S/c1-12-8-9-17(13(2)11-12)24-21(27)16(5)29-22-19(15(4)26)14(3)23-20(25-22)18-7-6-10-28-18/h6-11,16H,1-5H3,(H,24,27)/t16-/m0/s1