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

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O3/c1-9-7-10(2)18(17-9)13-11(19(20)21)12(15-8-16-13)14-5-4-6-22-3/h7-8H,4-6H2,1-3H3,(H,14,15,16)