N-(2-bromophenyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate

Systemtic Name: N-(2-bromophenyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate Openeye Name: N-(2-bromophenyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate CAS Name: N-(2-bromophenyl)-N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamate IUPAC Name: N-(2-bromophenyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate Traditional Name: N-(2-bromophenyl)-N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamate Formula: C13H12BrN4O6S- MolecularWeight: 432.22658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)N(C2=CC=CC=C2Br)S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)N(C2=CC=CC=C2Br)S(=O)(=O)[O-])OC

InChI

InChI=1S/C13H13BrN4O6S/c1-23-10-7-11(24-2)16-12(15-10)17-13(19)18(25(20,21)22)9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,20,21,22)(H,15,16,17,19)/p-1