1-[3-[[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethyl)urea

Systemtic Name: 1-[3-[[5-bromanyl-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethyl)urea Openeye Name: 1-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]-3-(2-morpholinoethyl)urea CAS Name: 1-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]-2-pyrimidinyl]amino]phenyl]-3-[2-(4-morpholinyl)ethyl]urea IUPAC Name: 1-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]-3-(2-morpholin-4-ylethyl)urea Traditional Name: 1-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]-3-(2-morpholinoethyl)urea Formula: C22H28BrN9O2 MolecularWeight: 530.42082

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br

Isomeric SMILES

C1COCCN1CCNC(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br

InChI

InChI=1S/C22H28BrN9O2/c23-19-14-27-21(31-20(19)25-5-4-18-13-24-15-28-18)29-16-2-1-3-17(12-16)30-22(33)26-6-7-32-8-10-34-11-9-32/h1-3,12-15H,4-11H2,(H,24,28)(H2,26,30,33)(H2,25,27,29,31)