4-[[4-[[2-bromanyl-4-(2-cyanoprop-1-enyl)-6-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2-bromanyl-4-(2-cyanoprop-1-enyl)-6-methyl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[2-bromo-4-(2-cyanoprop-1-enyl)-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[2-bromo-4-(2-cyanoprop-1-enyl)-6-methylanilino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[2-bromo-4-(2-cyanoprop-1-enyl)-6-methylanilino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[2-bromo-4-(2-cyanoprop-1-enyl)-6-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H17BrN6 MolecularWeight: 445.31458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN6/c1-14(12-24)9-17-10-15(2)21(19(23)11-17)28-20-7-8-26-22(29-20)27-18-5-3-16(13-25)4-6-18/h3-11H,1-2H3,(H2,26,27,28,29)