5-nitro-N-pyridin-4-yl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-pyridin-4-yl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-pyridyl)-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-pyridin-4-yl-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-pyridin-4-yl-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(4-pyridyl)amine Formula: C18H12N6O2S MolecularWeight: 376.39188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=NC=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=NC=C4)N=CC=C2

InChI

InChI=1S/C18H12N6O2S/c25-24(26)16-17(23-13-6-9-19-10-7-13)21-11-22-18(16)27-14-5-1-3-12-4-2-8-20-15(12)14/h1-11H,(H,19,21,22,23)