N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-[4-(3-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidin-5-yl]methanamine

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-[4-(3-methylpiperidin-1-yl)-2-methylsulfanyl-pyrimidin-5-yl]methanamine Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-1-[4-(3-methyl-1-piperidyl)-2-methylsulfanyl-pyrimidin-5-yl]methanamine CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-[4-(3-methyl-1-piperidinyl)-2-(methylthio)-5-pyrimidinyl]methanamine IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-1-[4-(3-methylpiperidin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanamine Traditional Name: (2-chloro-6-fluoro-benzyl)-[[4-(3-methylpiperidino)-2-(methylthio)pyrimidin-5-yl]methyl]amine Formula: C19H24ClFN4S MolecularWeight: 394.937063

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=NC=C2CNCC3=C(C=CC=C3Cl)F)SC

Isomeric SMILES

CC1CCCN(C1)C2=NC(=NC=C2CNCC3=C(C=CC=C3Cl)F)SC

InChI

InChI=1S/C19H24ClFN4S/c1-13-5-4-8-25(12-13)18-14(10-23-19(24-18)26-2)9-22-11-15-16(20)6-3-7-17(15)21/h3,6-7,10,13,22H,4-5,8-9,11-12H2,1-2H3