4-[[4-azanyl-6-(2,4,6-trimethylphenyl)sulfanyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-(2,4,6-trimethylphenyl)sulfanyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(2,4,6-trimethylphenyl)sulfanyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-[(2,4,6-trimethylphenyl)thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(2,4,6-trimethylphenyl)sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(mesitylthio)pyrimidin-2-yl]amino]benzonitrile Formula: C20H19N5S MolecularWeight: 361.46336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SC2=NC(=NC(=C2)N)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H19N5S/c1-12-8-13(2)19(14(3)9-12)26-18-10-17(22)24-20(25-18)23-16-6-4-15(11-21)5-7-16/h4-10H,1-3H3,(H3,22,23,24,25)