[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[4-(1,3-dithiolan-2-yl)phenyl]methanone Formula: C18H19BrN4OS2 MolecularWeight: 451.40366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C18H19BrN4OS2/c19-15-11-20-18(21-12-15)23-7-5-22(6-8-23)16(24)13-1-3-14(4-2-13)17-25-9-10-26-17/h1-4,11-12,17H,5-10H2