5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C13H9N5O2S MolecularWeight: 299.30786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O2S/c14-12-11(18(19)20)13(17-7-16-12)21-9-5-1-3-8-4-2-6-15-10(8)9/h1-7H,(H2,14,16,17)