2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidin-4-amine CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-(4-methoxyphenyl)-6-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidin-4-amine Traditional Name: [2-(3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H18N6O3/c1-10-9-11(2)22(21-10)17-18-12(3)15(23(24)25)16(20-17)19-13-5-7-14(26-4)8-6-13/h5-9H,1-4H3,(H,18,19,20)