4-[[4-azanyl-6-(4-bromanyl-2,6-dimethyl-phenyl)sulfanyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-(4-bromanyl-2,6-dimethyl-phenyl)sulfanyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(4-bromo-2,6-dimethyl-phenyl)sulfanyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-[(4-bromo-2,6-dimethylphenyl)thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(4-bromo-2,6-dimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-[(4-bromo-2,6-dimethyl-phenyl)thio]pyrimidin-2-yl]amino]benzonitrile Formula: C19H16BrN5S MolecularWeight: 426.33284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1SC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C)Br

InChI

InChI=1S/C19H16BrN5S/c1-11-7-14(20)8-12(2)18(11)26-17-9-16(22)24-19(25-17)23-15-5-3-13(10-21)4-6-15/h3-9H,1-2H3,(H3,22,23,24,25)