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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Br)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Br)S(=O)(=O)C

InChI

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