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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=CC(=C2)C(C)C)SBr)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=CC(=C2)C(C)C)SBr)N)C

InChI

InChI=1S/C15H18BrN3S2/c1-8(2)11-6-12(14(17)13(7-11)21-16)20-15-18-9(3)5-10(4)19-15/h5-8H,17H2,1-4H3