6-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(4-methoxyphenyl)-5-nitro-pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC

InChI

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