2,6-dimethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide

Systemtic Name: 2,6-dimethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide Openeye Name: 2,6-dimethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)pyrimidine-4-carboxamide CAS Name: 2,6-dimethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 2,6-dimethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide Traditional Name: 2,6-dimethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)pyrimidine-4-carboxamide Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)SC)OC

Isomeric SMILES

COC1=NC(=NC(=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)SC)OC

InChI

InChI=1S/C21H25N5O4S2/c1-28-18-13-16(22-20(24-18)29-2)19(27)26(7-6-25-8-10-30-11-9-25)21-23-15-5-4-14(31-3)12-17(15)32-21/h4-5,12-13H,6-11H2,1-3H3