4-[5-bromanyl-6-methyl-2-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[5-bromanyl-6-methyl-2-(1-oxidanidylpiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[5-bromo-6-methyl-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine CAS Name: 4-[5-bromo-6-methyl-2-(1-oxido-1-piperazin-1-iumyl)-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[5-bromo-6-methyl-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Traditional Name: 4-[5-bromo-6-methyl-2-(1-oxidopiperazin-1-ium-1-yl)pyrimidin-4-yl]thiomorpholine Formula: C13H20BrN5OS MolecularWeight: 374.2998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)[N+]2(CCNCC2)[O-])N3CCSCC3)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)[N+]2(CCNCC2)[O-])N3CCSCC3)Br

InChI

InChI=1S/C13H20BrN5OS/c1-10-11(14)12(18-4-8-21-9-5-18)17-13(16-10)19(20)6-2-15-3-7-19/h15H,2-9H2,1H3