3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylsulfanylpropyl)propanamide

Systemtic Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylsulfanylpropyl)propanamide Openeye Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylsulfanylpropyl)propanamide CAS Name: 3-(3-cyano-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl)-N-[3-(phenylthio)propyl]propanamide IUPAC Name: 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-phenylsulfanylpropyl)propanamide Traditional Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(phenylthio)propyl]propionamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-15-19(16(2)26-21(25-15)17(13-22)14-24-26)9-10-20(27)23-11-6-12-28-18-7-4-3-5-8-18/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,23,27)