4-[[4-[cyano-(2-methylphenyl)methyl]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[cyano-(2-methylphenyl)methyl]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[cyano(o-tolyl)methyl]-5-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[cyano-(2-methylphenyl)methyl]-5-methyl-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[cyano-(2-methylphenyl)methyl]-5-methylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[cyano(o-tolyl)methyl]-5-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C21H17N5 MolecularWeight: 339.39318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N5/c1-14-5-3-4-6-18(14)19(12-23)20-15(2)13-24-21(26-20)25-17-9-7-16(11-22)8-10-17/h3-10,13,19H,1-2H3,(H,24,25,26)