2-(pyrimidin-4-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(pyrimidin-4-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(pyrimidin-4-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(4-pyrimidinylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(pyrimidin-4-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-mesityl-2-(4-pyrimidylamino)-1,3-benzothiazole-6-carboxamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=NC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=NC=NC=C4)C

InChI

InChI=1S/C21H19N5OS/c1-12-8-13(2)19(14(3)9-12)26-20(27)15-4-5-16-17(10-15)28-21(24-16)25-18-6-7-22-11-23-18/h4-11H,1-3H3,(H,26,27)(H,22,23,24,25)