[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-propan-2-yl-3-sulfanyl-phenyl] thiohypobromite

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-propan-2-yl-3-sulfanyl-phenyl] thiohypobromite Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-isopropyl-3-sulfanyl-phenyl] thiohypobromite CAS Name: thiohypobromous acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-3-mercapto-5-propan-2-ylphenyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-propan-2-yl-3-sulfanylphenyl] thiohypobromite Traditional Name: thiohypobromous acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-isopropyl-3-mercapto-phenyl] ester Formula: C15H18BrN3S2 MolecularWeight: 384.35752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=C(C=C(C=C2SBr)C(C)C)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=C(C=C(C=C2SBr)C(C)C)S)C

InChI

InChI=1S/C15H18BrN3S2/c1-8(2)11-6-12(20)14(13(7-11)21-16)19-15-17-9(3)5-10(4)18-15/h5-8,20H,1-4H3,(H,17,18,19)