3-[(2-bromanyl-4-chloranyl-phenyl)sulfanylmethyl]-1,4-dihydropyrimidin-3-ium-2-amine

Systemtic Name: 3-[(2-bromanyl-4-chloranyl-phenyl)sulfanylmethyl]-1,4-dihydropyrimidin-3-ium-2-amine Openeye Name: 3-[(2-bromo-4-chloro-phenyl)sulfanylmethyl]-1,4-dihydropyrimidin-3-ium-2-amine CAS Name: 3-[[(2-bromo-4-chlorophenyl)thio]methyl]-1,4-dihydropyrimidin-3-ium-2-amine IUPAC Name: 3-[(2-bromo-4-chlorophenyl)sulfanylmethyl]-1,4-dihydropyrimidin-3-ium-2-amine Traditional Name: [3-[[(2-bromo-4-chloro-phenyl)thio]methyl]-1,4-dihydropyrimidin-3-ium-2-yl]amine Formula: C11H12BrClN3S+ MolecularWeight: 333.65508

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CNC(=[N+]1CSC2=C(C=C(C=C2)Cl)Br)N

Isomeric SMILES

C1C=CNC(=[N+]1CSC2=C(C=C(C=C2)Cl)Br)N

InChI

InChI=1S/C11H11BrClN3S/c12-9-6-8(13)2-3-10(9)17-7-16-5-1-4-15-11(16)14/h1-4,6H,5,7H2,(H2,14,15)/p+1