3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide

Systemtic Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide Openeye Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-thiochroman-4-yl-propanamide CAS Name: 3-(3-cyano-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl)-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)propanamide IUPAC Name: 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide Traditional Name: 3-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl)-N-thiochroman-4-yl-propionamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H21N5OS/c1-13-16(14(2)26-21(24-13)15(11-22)12-23-26)7-8-20(27)25-18-9-10-28-19-6-4-3-5-17(18)19/h3-6,12,18H,7-10H2,1-2H3,(H,25,27)