N-(3,5-dimethylphenyl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3,5-dimethylphenyl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3,5-dimethylphenyl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3,5-dimethylphenyl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3,5-dimethylphenyl)-3-(2-pyrimidylthio)propionamide Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCSC2=NC=CC=N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCSC2=NC=CC=N2)C

InChI

InChI=1S/C15H17N3OS/c1-11-8-12(2)10-13(9-11)18-14(19)4-7-20-15-16-5-3-6-17-15/h3,5-6,8-10H,4,7H2,1-2H3,(H,18,19)