4-[[4-[[4-(1-cyanopropan-2-yl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[4-(1-cyanopropan-2-yl)-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[4-(2-cyano-1-methyl-ethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[4-(1-cyanopropan-2-yl)-2,6-dimethylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[4-(1-cyanopropan-2-yl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[4-(2-cyano-1-methyl-ethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C23H22N6 MolecularWeight: 382.46098

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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(C)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6/c1-15(8-10-24)19-12-16(2)22(17(3)13-19)28-21-9-11-26-23(29-21)27-20-6-4-18(14-25)5-7-20/h4-7,9,11-13,15H,8H2,1-3H3,(H2,26,27,28,29)