5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine

Systemtic Name: 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine Openeye Name: 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine CAS Name: 5-[6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1,3-benzothiazole-2,4-diamine IUPAC Name: 5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazole-2,4-diamine Traditional Name: [2-amino-5-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1,3-benzothiazol-4-yl]amine Formula: C18H12F3N5S MolecularWeight: 387.38159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC=N2)C3=C(C4=C(C=C3)SC(=N4)N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC=N2)C3=C(C4=C(C=C3)SC(=N4)N)N)C(F)(F)F

InChI

InChI=1S/C18H12F3N5S/c19-18(20,21)10-3-1-9(2-4-10)12-7-13(25-8-24-12)11-5-6-14-16(15(11)22)26-17(23)27-14/h1-8H,22H2,(H2,23,26)