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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2/c1-11-9-12(2)22(21-11)17-15(23(24)25)16(18-10-19-17)20-13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3,(H,18,19,20)