5-nitro-N-(3-nitrophenyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(3-nitrophenyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(3-nitrophenyl)-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(3-nitrophenyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(3-nitrophenyl)-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (3-nitrophenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C19H12N6O4S MolecularWeight: 420.40138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N6O4S/c26-24(27)14-7-2-6-13(10-14)23-18-17(25(28)29)19(22-11-21-18)30-15-8-1-4-12-5-3-9-20-16(12)15/h1-11H,(H,21,22,23)