N-[3-[[4-[3-(4-azanylbutanoylamino)propylamino]-5-bromanyl-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[3-[[4-[3-(4-azanylbutanoylamino)propylamino]-5-bromanyl-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[[4-[3-(4-aminobutanoylamino)propylamino]-5-bromo-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[[4-[3-[(4-amino-1-oxobutyl)amino]propylamino]-5-bromo-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[[4-[3-(4-aminobutanoylamino)propylamino]-5-bromopyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[4-[3-(4-aminobutanoylamino)propylamino]-5-bromo-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Formula: C22H31BrN8O2 MolecularWeight: 519.43794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)CCCN)Br

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)CCCN)Br

InChI

InChI=1S/C22H31BrN8O2/c23-18-15-27-21(30-20(18)26-11-5-10-25-19(32)8-4-9-24)28-16-6-3-7-17(14-16)29-22(33)31-12-1-2-13-31/h3,6-7,14-15H,1-2,4-5,8-13,24H2,(H,25,32)(H,29,33)(H2,26,27,28,30)