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

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-N-phenethyl-4-pyrimidinamine IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-5-nitro-N-phenethylpyrimidin-4-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O2/c1-12-10-13(2)22(21-12)17-15(23(24)25)16(19-11-20-17)18-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,18,19,20)