N4-(5-methyl-1,2-oxazol-3-yl)-N6-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-N6-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-N6-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-(p-toluidino)pyrimidin-4-yl]amine Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O3/c1-9-3-5-11(6-4-9)18-14-13(21(22)23)15(17-8-16-14)19-12-7-10(2)24-20-12/h3-8H,1-2H3,(H2,16,17,18,19,20)