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

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C15H18N8O2 MolecularWeight: 342.35582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N8O2/c1-11-8-12(2)22(20-11)15-13(23(24)25)14(18-9-19-15)17-4-3-6-21-7-5-16-10-21/h5,7-10H,3-4,6H2,1-2H3,(H,17,18,19)