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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)Br)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

CCCC1=CC(=C(C(=C1)Br)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C20H17Br2N5/c1-2-3-14-10-16(21)19(17(22)11-14)26-18-8-9-24-20(27-18)25-15-6-4-13(12-23)5-7-15/h4-11H,2-3H2,1H3,(H2,24,25,26,27)