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

Systemtic Name: 4-[[5-bromanyl-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]benzamide Formula: C17H16BrN7O MolecularWeight: 414.25924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN7O/c18-12-8-20-17(21-11-5-3-10(4-6-11)15(19)26)23-16(12)22-14-7-13(24-25-14)9-1-2-9/h3-9H,1-2H2,(H2,19,26)(H3,20,21,22,23,24,25)