(E)-1-[4-(3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-phenyl-prop-2-en-1-one Formula: C18H17BrN6O MolecularWeight: 413.27118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=NNC(=C32)Br)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=NNC(=C32)Br)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C18H17BrN6O/c19-16-15-17(23-22-16)20-12-21-18(15)25-10-8-24(9-11-25)14(26)7-6-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21,22,23)/b7-6+