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

Systemtic Name: N-[3-[[5-bromanyl-4-[3-(propanoylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[3-[[5-bromo-4-[3-(propanoylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[3-[[5-bromo-4-[3-(1-oxopropylamino)propylamino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[3-[[5-bromo-4-[3-(propanoylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[3-[[5-bromo-4-(3-propionamidopropylamino)pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Formula: C21H28BrN7O2 MolecularWeight: 490.39672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3

Isomeric SMILES

CCC(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3

InChI

InChI=1S/C21H28BrN7O2/c1-2-18(30)23-9-6-10-24-19-17(22)14-25-20(28-19)26-15-7-5-8-16(13-15)27-21(31)29-11-3-4-12-29/h5,7-8,13-14H,2-4,6,9-12H2,1H3,(H,23,30)(H,27,31)(H2,24,25,26,28)