N'-[3-[[2-[[3-(3-azanyl-2-oxidanylidene-3-phenyl-propyl)phenyl]amino]-5-bromanyl-pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-propanediamide

Systemtic Name: N'-[3-[[2-[[3-(3-azanyl-2-oxidanylidene-3-phenyl-propyl)phenyl]amino]-5-bromanyl-pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-propanediamide Openeye Name: N'-[3-[[2-[3-(3-amino-2-oxo-3-phenyl-propyl)anilino]-5-bromo-pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-propanediamide CAS Name: N'-[3-[[2-[3-(3-amino-2-oxo-3-phenylpropyl)anilino]-5-bromo-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide IUPAC Name: N'-[3-[[2-[3-(3-amino-2-oxo-3-phenylpropyl)anilino]-5-bromopyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide Traditional Name: N'-[3-[[2-[3-(3-amino-2-keto-3-phenyl-propyl)anilino]-5-bromo-pyrimidin-4-yl]amino]propyl]-2,2-dimethyl-malonamide Formula: C27H32BrN7O3 MolecularWeight: 582.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)C(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC=CC(=C2)CC(=O)C(C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C(=O)N)C(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC=CC(=C2)CC(=O)C(C3=CC=CC=C3)N

InChI

InChI=1S/C27H32BrN7O3/c1-27(2,24(30)37)25(38)32-13-7-12-31-23-20(28)16-33-26(35-23)34-19-11-6-8-17(14-19)15-21(36)22(29)18-9-4-3-5-10-18/h3-6,8-11,14,16,22H,7,12-13,15,29H2,1-2H3,(H2,30,37)(H,32,38)(H2,31,33,34,35)