4-chloranyl-2-methylsulfanyl-6-phenylazanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-6-phenylazanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-anilino-6-chloro-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-anilino-6-chloro-2-(methylthio)-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-anilino-6-chloro-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-anilino-6-chloro-2-(methylthio)-N-(3-phenylpropyl)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)NCCCC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCCC2=CC=CC=C2)NC3=CC=CC=C3

InChI

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