N-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C21H13BrN6O3S MolecularWeight: 509.33532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrN6O3S/c1-11-4-6-14-16(9-11)32-21(26-14)27-19-18(28(29)30)20(25-10-24-19)31-15-7-5-13(22)12-3-2-8-23-17(12)15/h2-10H,1H3,(H,24,25,26,27)