N-[4-[[5-bromanyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-chloranyl-phenyl]ethanamide

Systemtic Name: N-[4-[[5-bromanyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-chloranyl-phenyl]ethanamide Openeye Name: N-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-chloro-phenyl]acetamide CAS Name: N-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]-3-chlorophenyl]acetamide IUPAC Name: N-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-chlorophenyl]acetamide Traditional Name: N-[4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-chloro-phenyl]acetamide Formula: C18H17BrClN7O MolecularWeight: 462.73088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=NNC(=C3)C4CC4)Br)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=NNC(=C3)C4CC4)Br)Cl

InChI

InChI=1S/C18H17BrClN7O/c1-9(28)22-11-4-5-14(13(20)6-11)23-18-21-8-12(19)17(25-18)24-16-7-15(26-27-16)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)