4-[[4-[[4-(hydroxymethyl)-2-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(hydroxymethyl)-2-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(hydroxymethyl)-2-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(hydroxymethyl)-2-methylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(hydroxymethyl)-2-methylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2-methyl-4-methylol-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C19H17N5O MolecularWeight: 331.37118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CO)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)CO)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N5O/c1-13-10-15(12-25)4-7-17(13)23-18-8-9-21-19(24-18)22-16-5-2-14(11-20)3-6-16/h2-10,25H,12H2,1H3,(H2,21,22,23,24)