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

Systemtic Name: N-[4-[[4-[3-(1-aminocarbonylcyclopentyl)propanoylamino]-5-bromanyl-pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[4-[[5-bromo-4-[3-(1-carbamoylcyclopentyl)propanoylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide CAS Name: N-[4-[[5-bromo-4-[[3-(1-carbamoylcyclopentyl)-1-oxopropyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[4-[[5-bromo-4-[3-(1-carbamoylcyclopentyl)propanoylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Traditional Name: N-[4-[[5-bromo-4-[3-(1-carbamoylcyclopentyl)propanoylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide Formula: C24H30BrN7O3 MolecularWeight: 544.4441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CCC(=O)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)NC(=O)N4CCCC4)C(=O)N

Isomeric SMILES

C1CCC(C1)(CCC(=O)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)NC(=O)N4CCCC4)C(=O)N

InChI

InChI=1S/C24H30BrN7O3/c25-18-15-27-22(28-16-5-7-17(8-6-16)29-23(35)32-13-3-4-14-32)31-20(18)30-19(33)9-12-24(21(26)34)10-1-2-11-24/h5-8,15H,1-4,9-14H2,(H2,26,34)(H,29,35)(H2,27,28,30,31,33)