4-[[4-[[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(2,6-dibromo-4-isopropyl-anilino)-5-methyl-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(2,6-dibromo-4-propan-2-ylanilino)-5-methyl-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(2,6-dibromo-4-propan-2-ylanilino)-5-methylpyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(2,6-dibromo-4-isopropyl-anilino)-5-methyl-pyrimidin-2-yl]amino]benzonitrile Formula: C21H19Br2N5 MolecularWeight: 501.21706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=C(C=C(C=C2Br)C(C)C)Br)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CN=C(N=C1NC2=C(C=C(C=C2Br)C(C)C)Br)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19Br2N5/c1-12(2)15-8-17(22)19(18(23)9-15)27-20-13(3)11-25-21(28-20)26-16-6-4-14(10-24)5-7-16/h4-9,11-12H,1-3H3,(H2,25,26,27,28)