6-(3,5-dimethylpyrazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C25H42N6O2 MolecularWeight: 458.63998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C(=CC(=N2)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C(=CC(=N2)C)C

InChI

InChI=1S/C25H42N6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-24-23(31(32)33)25(28-20-27-24)30-22(3)19-21(2)29-30/h19-20H,4-18H2,1-3H3,(H,26,27,28)