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

Systemtic Name: 4-[[4-[[4-(hydroxymethyl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(hydroxymethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(hydroxymethyl)-2,6-dimethylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(hydroxymethyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2,6-dimethyl-4-methylol-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C20H19N5O MolecularWeight: 345.39776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)CO

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)CO

InChI

InChI=1S/C20H19N5O/c1-13-9-16(12-26)10-14(2)19(13)24-18-7-8-22-20(25-18)23-17-5-3-15(11-21)4-6-17/h3-10,26H,12H2,1-2H3,(H2,22,23,24,25)