N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)-8-fluoranyl-quinoline-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)-8-fluoranyl-quinoline-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)-8-fluoro-quinoline-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-N4-(2,2-dimethylpropyl)-8-fluoroquinoline-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-4-N-(2,2-dimethylpropyl)-8-fluoroquinoline-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[8-fluoro-4-(neopentylamino)-2-quinolyl]amine Formula: C21H21FN4S MolecularWeight: 380.481643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=CC(=NC2=C1C=CC=C2F)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)(C)CNC1=CC(=NC2=C1C=CC=C2F)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H21FN4S/c1-21(2,3)11-23-17-10-19(26-20-14(17)5-4-6-15(20)22)25-13-7-8-16-18(9-13)27-12-24-16/h4-10,12H,11H2,1-3H3,(H2,23,25,26)