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

Systemtic Name: 5-methyl-N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,2-oxazol-3-amine Openeye Name: 5-methyl-N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)isoxazol-3-amine CAS Name: 5-methyl-N-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-3-isoxazolamine IUPAC Name: 5-methyl-N-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)-1,2-oxazol-3-amine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C14H11N5O3S MolecularWeight: 329.33384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O3S/c1-9-7-11(18-22-9)17-13-12(19(20)21)14(16-8-15-13)23-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16,17,18)