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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)-4-pyrimidinyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[[6-(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=CC(=NC=N4)NCCO

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC4=CC(=NC=N4)NCCO

InChI

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