5-chloranyl-N-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(4-methylpiperazine-1-carbonyl)benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H22ClN5O2S MolecularWeight: 419.92828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C19H22ClN5O2S/c1-24-7-9-25(10-8-24)18(27)14-5-3-13(4-6-14)11-21-17(26)16-15(20)12-22-19(23-16)28-2/h3-6,12H,7-11H2,1-2H3,(H,21,26)