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

Systemtic Name: N-[6-(2-methylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(2-methylquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]amine Formula: C21H14N6O3S MolecularWeight: 430.43926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=NC5=CC=CC=C5S4)C=C1

InChI

InChI=1S/C21H14N6O3S/c1-12-9-10-13-5-4-7-15(17(13)24-12)30-20-18(27(28)29)19(22-11-23-20)26-21-25-14-6-2-3-8-16(14)31-21/h2-11H,1H3,(H,22,23,25,26)