6-methoxy-N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H14N6O3S2 MolecularWeight: 462.50426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O3S2/c1-30-13-7-8-14-16(10-13)32-21(25-14)26-19-18(27(28)29)20(24-11-23-19)31-15-6-2-4-12-5-3-9-22-17(12)15/h2-11H,1H3,(H,23,24,25,26)