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

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C17H17ClN4O4S2 MolecularWeight: 440.92428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OCC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OCC)Cl

InChI

InChI=1S/C17H17ClN4O4S2/c1-3-7-28(24,25)17-19-9-11(18)14(21-17)15(23)22-16-20-12-6-5-10(26-4-2)8-13(12)27-16/h5-6,8-9H,3-4,7H2,1-2H3,(H,20,22,23)