4-[[4-[(3-bromanyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-bromanyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[(3-bromo-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(3-bromo-1H-inden-5-yl)amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(3-bromo-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[(3-bromo-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]benzonitrile Formula: C20H14BrN5 MolecularWeight: 404.26266

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=C1C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)Br

Isomeric SMILES

C1C=C(C2=C1C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)Br

InChI

InChI=1S/C20H14BrN5/c21-18-8-4-14-3-7-16(11-17(14)18)24-19-9-10-23-20(26-19)25-15-5-1-13(12-22)2-6-15/h1-3,5-11H,4H2,(H2,23,24,25,26)