5-chloranyl-N-[2-(diethylamino)-2-phenyl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(diethylamino)-2-phenyl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(diethylamino)-2-phenyl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(diethylamino)-2-phenyl-ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CC=CC=C2

InChI

InChI=1S/C18H23ClN4OS/c1-4-23(5-2)15(13-9-7-6-8-10-13)12-20-17(24)16-14(19)11-21-18(22-16)25-3/h6-11,15H,4-5,12H2,1-3H3,(H,20,24)