4-(2-bromanyl-1,3-thiazol-5-yl)-5-cyano-6-methyl-3-oxidanidyl-2,4-dihydro-1H-pyrimidin-3-ium-3-carboxylic acid

Systemtic Name: 4-(2-bromanyl-1,3-thiazol-5-yl)-5-cyano-6-methyl-3-oxidanidyl-2,4-dihydro-1H-pyrimidin-3-ium-3-carboxylic acid Openeye Name: 4-(2-bromothiazol-5-yl)-5-cyano-6-methyl-3-oxido-2,4-dihydro-1H-pyrimidin-3-ium-3-carboxylic acid CAS Name: 4-(2-bromo-5-thiazolyl)-5-cyano-6-methyl-3-oxido-2,4-dihydro-1H-pyrimidin-3-ium-3-carboxylic acid IUPAC Name: 4-(2-bromo-1,3-thiazol-5-yl)-5-cyano-6-methyl-3-oxido-2,4-dihydro-1H-pyrimidin-3-ium-3-carboxylic acid Traditional Name: 4-(2-bromothiazol-5-yl)-5-cyano-6-methyl-3-oxido-2,4-dihydro-1H-pyrimidin-3-ium-3-carboxylic acid Formula: C10H9BrN4O3S MolecularWeight: 345.17246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+](CN1)(C(=O)O)[O-])C2=CN=C(S2)Br)C#N

Isomeric SMILES

CC1=C(C([N+](CN1)(C(=O)O)[O-])C2=CN=C(S2)Br)C#N

InChI

InChI=1S/C10H9BrN4O3S/c1-5-6(2-12)8(7-3-13-9(11)19-7)15(18,4-14-5)10(16)17/h3,8,14H,4H2,1H3,(H,16,17)