1-[4-[2-azanyl-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-azanyl-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-amino-5-(4-bromophenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-amino-5-[(4-bromophenyl)thio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-amino-5-(4-bromophenyl)sulfanylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-amino-5-[(4-bromophenyl)thio]pyrimidin-4-yl]piperazino]ethanone Formula: C16H18BrN5OS MolecularWeight: 408.31602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC=C2SC3=CC=C(C=C3)Br)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC=C2SC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C16H18BrN5OS/c1-11(23)21-6-8-22(9-7-21)15-14(10-19-16(18)20-15)24-13-4-2-12(17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)