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

Systemtic Name: N4-[(E)-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methylideneamino]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(E)-(3,5-dimethyl-1-pentyl-pyrazol-4-yl)methyleneamino]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(E)-(3,5-dimethyl-1-pentyl-4-pyrazolyl)methylideneamino]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(E)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-5-nitropyrimidine-2,4-diamine Traditional Name: (2-amino-5-nitro-pyrimidin-4-yl)-[(E)-(1-amyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]amine Formula: C15H22N8O2 MolecularWeight: 346.38758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C(=N1)C)C=NNC2=NC(=NC=C2[N+](=O)[O-])N)C

Isomeric SMILES

CCCCCN1C(=C(C(=N1)C)/C=N/NC2=NC(=NC=C2[N+](=O)[O-])N)C

InChI

InChI=1S/C15H22N8O2/c1-4-5-6-7-22-11(3)12(10(2)21-22)8-18-20-14-13(23(24)25)9-17-15(16)19-14/h8-9H,4-7H2,1-3H3,(H3,16,17,19,20)/b18-8+