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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C16H15ClN6O2 MolecularWeight: 358.7823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C)Cl

InChI

InChI=1S/C16H15ClN6O2/c1-9-4-5-12(7-13(9)17)20-15-14(23(24)25)16(19-8-18-15)22-11(3)6-10(2)21-22/h4-8H,1-3H3,(H,18,19,20)