1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-iodophenyl)prop-2-yn-1-one

Systemtic Name: 1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-iodophenyl)prop-2-yn-1-one Openeye Name: 1-(3-bromo-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-iodophenyl)prop-2-yn-1-one CAS Name: 1-[3-bromo-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-iodophenyl)-2-propyn-1-one IUPAC Name: 1-(3-bromo-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-iodophenyl)prop-2-yn-1-one Traditional Name: 1-[3-bromo-4-(2-pyrimidyl)piperazino]-3-(4-iodophenyl)prop-2-yn-1-one Formula: C17H14BrIN4O MolecularWeight: 497.12773

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)I)Br)C3=NC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)I)Br)C3=NC=CC=N3

InChI

InChI=1S/C17H14BrIN4O/c18-15-12-22(10-11-23(15)17-20-8-1-9-21-17)16(24)7-4-13-2-5-14(19)6-3-13/h1-3,5-6,8-9,15H,10-12H2