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

Systemtic Name: 4-methyl-N-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 4-methyl-N-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 4-methyl-N-[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-methyl-N-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)OC4=CC=CC5=C4N=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)OC4=CC=CC5=C4N=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3S/c1-12-5-3-8-16-17(12)26-22(32-16)27-20-19(28(29)30)21(24-11-23-20)31-15-7-4-6-14-10-9-13(2)25-18(14)15/h3-11H,1-2H3,(H,23,24,26,27)