N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C17H17ClN6O4 MolecularWeight: 404.80768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H17ClN6O4/c1-9-5-10(2)23(22-9)17-15(24(25)26)16(19-8-20-17)21-12-6-11(18)13(27-3)7-14(12)28-4/h5-8H,1-4H3,(H,19,20,21)