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

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N,N-bis(2-oxidanylpropyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N,N-bis(2-hydroxypropyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N,N-bis(2-hydroxypropyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N,N-bis(2-hydroxypropyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N,N-bis(2-hydroxypropyl)benzamide Formula: C23H26BrN5O3 MolecularWeight: 500.38824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN5O3/c1-15(30)12-29(13-16(2)31)23(32)17-5-3-7-19(9-17)27-21-11-22(26-14-25-21)28-20-8-4-6-18(24)10-20/h3-11,14-16,30-31H,12-13H2,1-2H3,(H2,25,26,27,28)