N4-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(E)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(E)-(1,3-diphenylpyrazol-4-yl)methyleneamino]amine Formula: C20H16N8O2 MolecularWeight: 400.39344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NNC3=NC=NC(=C3[N+](=O)[O-])N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/NC3=NC=NC(=C3[N+](=O)[O-])N)C4=CC=CC=C4

InChI

InChI=1S/C20H16N8O2/c21-19-18(28(29)30)20(23-13-22-19)25-24-11-15-12-27(16-9-5-2-6-10-16)26-17(15)14-7-3-1-4-8-14/h1-13H,(H3,21,22,23,25)/b24-11+