3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(phenylmethyl)pyrazol-3-yl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(phenylmethyl)pyrazol-3-yl]propanamide Openeye Name: N-(2-benzylpyrazol-3-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-(phenylmethyl)-3-pyrazolyl]propanamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(2-benzylpyrazol-3-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=NN2CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=NN2CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-14-17(15(2)23-20(22-14)27-3)9-10-19(26)24-18-11-12-21-25(18)13-16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3,(H,24,26)