4-chloranyl-2-methylsulfanyl-N-phenethyl-6-phenylazanyl-pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-N-phenethyl-6-phenylazanyl-pyrimidine-5-carboxamide Openeye Name: 4-anilino-6-chloro-2-methylsulfanyl-N-phenethyl-pyrimidine-5-carboxamide CAS Name: 4-anilino-6-chloro-2-(methylthio)-N-phenethyl-5-pyrimidinecarboxamide IUPAC Name: 4-anilino-6-chloro-2-methylsulfanyl-N-phenethylpyrimidine-5-carboxamide Traditional Name: 4-anilino-6-chloro-2-(methylthio)-N-phenethyl-pyrimidine-5-carboxamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4OS/c1-27-20-24-17(21)16(18(25-20)23-15-10-6-3-7-11-15)19(26)22-13-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,26)(H,23,24,25)