3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(4-butylphenyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(4-butylphenyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(4-butylphenyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(4-butylphenyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(4-butylphenyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(4-butylphenyl)benzamide Formula: C27H26BrN5O MolecularWeight: 516.43224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H26BrN5O/c1-2-3-6-19-11-13-22(14-12-19)33-27(34)20-7-4-9-23(15-20)31-25-17-26(30-18-29-25)32-24-10-5-8-21(28)16-24/h4-5,7-18H,2-3,6H2,1H3,(H,33,34)(H2,29,30,31,32)