5-chloranyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC

InChI

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