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

Systemtic Name: 3-[[5-bromanyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-4-chloranyl-benzamide Openeye Name: 3-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-4-chloro-benzamide CAS Name: 3-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]-4-chlorobenzamide IUPAC Name: 3-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-4-chlorobenzamide Traditional Name: 3-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-4-chloro-benzamide Formula: C17H15BrClN7O MolecularWeight: 448.7043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3Br)NC4=C(C=CC(=C4)C(=O)N)Cl

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC=C3Br)NC4=C(C=CC(=C4)C(=O)N)Cl

InChI

InChI=1S/C17H15BrClN7O/c18-10-7-21-17(22-13-5-9(15(20)27)3-4-11(13)19)24-16(10)23-14-6-12(25-26-14)8-1-2-8/h3-8H,1-2H2,(H2,20,27)(H3,21,22,23,24,25,26)