4-chloranyl-2-methylsulfanyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Openeye Name: 4-chloro-2-methylsulfanyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-N-phenyl-6-(3-phenylpropylamino)-5-pyrimidinecarboxamide IUPAC Name: 4-chloro-2-methylsulfanyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-chloro-2-(methylthio)-N-phenyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NC2=CC=CC=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NC2=CC=CC=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4OS/c1-28-21-25-18(22)17(20(27)24-16-12-6-3-7-13-16)19(26-21)23-14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,24,27)(H,23,25,26)