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

Systemtic Name: 4-[(5-methoxy-2-methylsulfanyl-pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(5-methoxy-2-methylsulfanyl-pyrimidin-4-yl)amino]benzonitrile CAS Name: 4-[[5-methoxy-2-(methylthio)-4-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[(5-methoxy-2-methylsulfanylpyrimidin-4-yl)amino]benzonitrile Traditional Name: 4-[[5-methoxy-2-(methylthio)pyrimidin-4-yl]amino]benzonitrile Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

COC1=CN=C(N=C1NC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C13H12N4OS/c1-18-11-8-15-13(19-2)17-12(11)16-10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3,(H,15,16,17)