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

Systemtic Name: 2-[(6-azanylpyrimidin-4-yl)amino]-N-(2-chloranyl-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(6-aminopyrimidin-4-yl)amino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[(6-amino-4-pyrimidinyl)amino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[(6-aminopyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(6-aminopyrimidin-4-yl)amino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C19H15ClN6OS MolecularWeight: 410.88

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN6OS/c1-10-3-2-4-12(20)17(10)26-18(27)11-5-6-13-14(7-11)28-19(24-13)25-16-8-15(21)22-9-23-16/h2-9H,1H3,(H,26,27)(H3,21,22,23,24,25)