4-[[4-[4-(hydroxymethyl)-2,6-dimethyl-phenyl]sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(hydroxymethyl)-2,6-dimethyl-phenyl]sulfanylpyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(hydroxymethyl)-2,6-dimethyl-phenyl]sulfanylpyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[4-(hydroxymethyl)-2,6-dimethylphenyl]thio]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(hydroxymethyl)-2,6-dimethylphenyl]sulfanylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[(2,6-dimethyl-4-methylol-phenyl)thio]pyrimidin-2-yl]amino]benzonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4OS/c1-13-9-16(12-25)10-14(2)19(13)26-18-7-8-22-20(24-18)23-17-5-3-15(11-21)4-6-17/h3-10,25H,12H2,1-2H3,(H,22,23,24)