N-(3-chloranyl-4-methyl-phenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-methylphenyl)-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chloro-4-methylphenyl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (3-chloro-4-methyl-phenyl)-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O3/c1-11-6-12(2)8-15(7-11)27-19-17(24(25)26)18(21-10-22-19)23-14-5-4-13(3)16(20)9-14/h4-10H,1-3H3,(H,21,22,23)