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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[2-(2-hydroxyethylamino)-4-pyrimidinyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[[2-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Formula: C21H19ClN6O2S MolecularWeight: 454.93256

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O2S/c1-12-3-2-4-14(22)18(12)28-19(30)13-5-6-15-16(11-13)31-21(25-15)27-17-7-8-23-20(26-17)24-9-10-29/h2-8,11,29H,9-10H2,1H3,(H,28,30)(H2,23,24,25,26,27)