N-(5-chloranyl-2-methoxy-phenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methoxy-phenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methoxyphenyl)-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methoxyphenyl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methoxy-phenyl)-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C19H17ClN4O4/c1-11-6-12(2)8-14(7-11)28-19-17(24(25)26)18(21-10-22-19)23-15-9-13(20)4-5-16(15)27-3/h4-10H,1-3H3,(H,21,22,23)