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

Systemtic Name: 4-[[4-[[2,6-dimethyl-4-(2-methylpropanoyl)phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2,6-dimethyl-4-(2-methylpropanoyl)anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2,6-dimethyl-4-(2-methyl-1-oxopropyl)anilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[2,6-dimethyl-4-(2-methylpropanoyl)anilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(4-isobutyryl-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C23H23N5O MolecularWeight: 385.46162

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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)C(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O/c1-14(2)22(29)18-11-15(3)21(16(4)12-18)27-20-9-10-25-23(28-20)26-19-7-5-17(13-24)6-8-19/h5-12,14H,1-4H3,(H2,25,26,27,28)