5-bromanyl-2-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-esyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C15H13BrN4O4S2 MolecularWeight: 457.32212

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)Br

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)Br

InChI

InChI=1S/C15H13BrN4O4S2/c1-3-26(22,23)15-17-7-9(16)12(19-15)13(21)20-14-18-10-5-4-8(24-2)6-11(10)25-14/h4-7H,3H2,1-2H3,(H,18,20,21)