1-[4-[[5-bromanyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-bromanyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[5-bromo-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-bromo-4-(prop-2-ynylamino)-2-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-bromo-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[5-bromo-4-(propargylamino)pyrimidin-2-yl]amino]phenyl]ethanone Formula: C15H13BrN4O MolecularWeight: 345.19392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC#C)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC#C)Br

InChI

InChI=1S/C15H13BrN4O/c1-3-8-17-14-13(16)9-18-15(20-14)19-12-6-4-11(5-7-12)10(2)21/h1,4-7,9H,8H2,2H3,(H2,17,18,19,20)