4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-benzenecarbonitrile Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-methylsulfanyl-benzonitrile CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)-ethylamino]-3-(methylthio)benzonitrile IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-3-methylsulfanylbenzonitrile Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)-ethyl-amino]-3-(methylthio)benzonitrile Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)C#N)SC)C2=NC(=CC(=N2)C)C

Isomeric SMILES

CCN(C1=C(C=C(C=C1)C#N)SC)C2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H18N4S/c1-5-20(16-18-11(2)8-12(3)19-16)14-7-6-13(10-17)9-15(14)21-4/h6-9H,5H2,1-4H3