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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[[6-methyl-2-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[6-methyl-2-(2-oxolanylmethylamino)-4-pyrimidinyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[[6-methyl-2-(tetrahydrofurfurylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Formula: C25H25ClN6O2S MolecularWeight: 509.023

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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)C)NCC5CCCO5

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=NC(=NC(=C4)C)NCC5CCCO5

InChI

InChI=1S/C25H25ClN6O2S/c1-14-5-3-7-18(26)22(14)32-23(33)16-8-9-19-20(12-16)35-25(29-19)31-21-11-15(2)28-24(30-21)27-13-17-6-4-10-34-17/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3,(H,32,33)(H2,27,28,29,30,31)