1-[4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-phenyl]propan-1-one

Systemtic Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-phenyl]propan-1-one Openeye Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-phenyl]propan-1-one CAS Name: 1-[4-[(4,6-dimethyl-2-pyrimidinyl)-ethylamino]-3-(methylthio)phenyl]-1-propanone IUPAC Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-3-methylsulfanylphenyl]propan-1-one Traditional Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-(methylthio)phenyl]propan-1-one Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)N(CC)C2=NC(=CC(=N2)C)C)SC

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)N(CC)C2=NC(=CC(=N2)C)C)SC

InChI

InChI=1S/C18H23N3OS/c1-6-16(22)14-8-9-15(17(11-14)23-5)21(7-2)18-19-12(3)10-13(4)20-18/h8-11H,6-7H2,1-5H3