4-[[4-[[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,6-dibromo-4-isopropyl-anilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(2,6-dibromo-4-propan-2-ylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,6-dibromo-4-propan-2-ylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2,6-dibromo-4-isopropyl-anilino)pyrimidin-2-yl]amino]benzonitrile Formula: C20H17Br2N5 MolecularWeight: 487.19048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Br2N5/c1-12(2)14-9-16(21)19(17(22)10-14)26-18-7-8-24-20(27-18)25-15-5-3-13(11-23)4-6-15/h3-10,12H,1-2H3,(H2,24,25,26,27)