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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)Br)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

CCCC1=CC(=C(C(=C1)Br)NC2=NC(=NC=C2C)NC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C21H19Br2N5/c1-3-4-15-9-17(22)19(18(23)10-15)27-20-13(2)12-25-21(28-20)26-16-7-5-14(11-24)6-8-16/h5-10,12H,3-4H2,1-2H3,(H2,25,26,27,28)