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

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C14H20N6O2 MolecularWeight: 304.3476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H20N6O2/c1-9(2)5-6-15-13-12(20(21)22)14(17-8-16-13)19-11(4)7-10(3)18-19/h7-9H,5-6H2,1-4H3,(H,15,16,17)