N-(2-chloranyl-6-methyl-phenyl)-2-[[2-(methylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[2-(methylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-(methylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[2-(methylamino)-4-pyrimidinyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-(methylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-(methylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Formula: C20H17ClN6OS MolecularWeight: 424.90658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6OS/c1-11-4-3-5-13(21)17(11)27-18(28)12-6-7-14-15(10-12)29-20(24-14)26-16-8-9-23-19(22-2)25-16/h3-10H,1-2H3,(H,27,28)(H2,22,23,24,25,26)