2-[[4-(methylamino)-2-methylsulfanyl-pyrimidin-5-yl]methylamino]benzenecarbonitrile

Systemtic Name: 2-[[4-(methylamino)-2-methylsulfanyl-pyrimidin-5-yl]methylamino]benzenecarbonitrile Openeye Name: 2-[[4-(methylamino)-2-methylsulfanyl-pyrimidin-5-yl]methylamino]benzonitrile CAS Name: 2-[[4-(methylamino)-2-(methylthio)-5-pyrimidinyl]methylamino]benzonitrile IUPAC Name: 2-[[4-(methylamino)-2-methylsulfanylpyrimidin-5-yl]methylamino]benzonitrile Traditional Name: 2-[[4-(methylamino)-2-(methylthio)pyrimidin-5-yl]methylamino]benzonitrile Formula: C14H15N5S MolecularWeight: 285.3674

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1CNC2=CC=CC=C2C#N)SC

Isomeric SMILES

CNC1=NC(=NC=C1CNC2=CC=CC=C2C#N)SC

InChI

InChI=1S/C14H15N5S/c1-16-13-11(9-18-14(19-13)20-2)8-17-12-6-4-3-5-10(12)7-15/h3-6,9,17H,8H2,1-2H3,(H,16,18,19)