3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N,N-bis(2-methylpropyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N,N-bis(2-methylpropyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N,N-diisobutyl-benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N,N-bis(2-methylpropyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N,N-bis(2-methylpropyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N,N-diisobutyl-benzamide Formula: C25H30BrN5O MolecularWeight: 496.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C25H30BrN5O/c1-17(2)14-31(15-18(3)4)25(32)19-7-5-9-21(11-19)29-23-13-24(28-16-27-23)30-22-10-6-8-20(26)12-22/h5-13,16-18H,14-15H2,1-4H3,(H2,27,28,29,30)