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

Systemtic Name: 5-methyl-N-(5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-yl)-1,2-oxazol-3-amine Openeye Name: 5-methyl-N-[5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-yl]isoxazol-3-amine CAS Name: 5-methyl-N-[5-nitro-6-(8-quinolinylthio)-4-pyrimidinyl]-3-isoxazolamine IUPAC Name: 5-methyl-N-(5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-1,2-oxazol-3-amine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C17H12N6O3S MolecularWeight: 380.38058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O3S/c1-10-8-13(22-26-10)21-16-15(23(24)25)17(20-9-19-16)27-12-6-2-4-11-5-3-7-18-14(11)12/h2-9H,1H3,(H,19,20,21,22)