5-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(phenylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-mesyl-pyrimidine-4-carboxamide Formula: C22H19ClN4O3S2 MolecularWeight: 486.99426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=NC(=NC=C4Cl)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=NC(=NC=C4Cl)S(=O)(=O)C)C

InChI

InChI=1S/C22H19ClN4O3S2/c1-13-9-14(2)18-17(10-13)31-22(26-18)27(12-15-7-5-4-6-8-15)20(28)19-16(23)11-24-21(25-19)32(3,29)30/h4-11H,12H2,1-3H3