5-chloranyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[methyl-(phenylmethyl)amino]propyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H21ClN4OS MolecularWeight: 364.89284

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=NC=C1Cl)SC)CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=NC=C1Cl)SC)CC2=CC=CC=C2

InChI

InChI=1S/C17H21ClN4OS/c1-22(12-13-7-4-3-5-8-13)10-6-9-19-16(23)15-14(18)11-20-17(21-15)24-2/h3-5,7-8,11H,6,9-10,12H2,1-2H3,(H,19,23)