5-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-1,2-oxazol-3-amine

Systemtic Name: 5-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-1,2-oxazol-3-amine Openeye Name: 5-methyl-N-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]isoxazol-3-amine CAS Name: 5-methyl-N-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-3-isoxazolamine IUPAC Name: 5-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NOC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=NOC(=C3)C

InChI

InChI=1S/C15H13N5O3S/c1-9-3-5-11(6-4-9)24-15-13(20(21)22)14(16-8-17-15)18-12-7-10(2)23-19-12/h3-8H,1-2H3,(H,16,17,18,19)