4-bromanyl-2-[(3-piperazin-1-ylpyrazin-2-yl)sulfanylmethyl]benzaldehyde

Systemtic Name: 4-bromanyl-2-[(3-piperazin-1-ylpyrazin-2-yl)sulfanylmethyl]benzaldehyde Openeye Name: 4-bromo-2-[(3-piperazin-1-ylpyrazin-2-yl)sulfanylmethyl]benzaldehyde CAS Name: 4-bromo-2-[[[3-(1-piperazinyl)-2-pyrazinyl]thio]methyl]benzaldehyde IUPAC Name: 4-bromo-2-[(3-piperazin-1-ylpyrazin-2-yl)sulfanylmethyl]benzaldehyde Traditional Name: 4-bromo-2-[[(3-piperazinopyrazin-2-yl)thio]methyl]benzaldehyde Formula: C16H17BrN4OS MolecularWeight: 393.30138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CN=C2SCC3=C(C=CC(=C3)Br)C=O

Isomeric SMILES

C1CN(CCN1)C2=NC=CN=C2SCC3=C(C=CC(=C3)Br)C=O

InChI

InChI=1S/C16H17BrN4OS/c17-14-2-1-12(10-22)13(9-14)11-23-16-15(19-3-4-20-16)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8,11H2