N4-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]amine Formula: C16H16N8O2 MolecularWeight: 352.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC3=NC(=NC=C3[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC3=NC(=NC=C3[N+](=O)[O-])N

InChI

InChI=1S/C16H16N8O2/c1-10-13(11(2)23(22-10)12-6-4-3-5-7-12)8-19-21-15-14(24(25)26)9-18-16(17)20-15/h3-9H,1-2H3,(H3,17,18,20,21)/b19-8+