6-(4-chloranyl-3-methyl-phenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-(2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-(2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C19H17ClN4O5 MolecularWeight: 416.81508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O5/c1-11-8-13(4-6-14(11)20)29-19-17(24(25)26)18(21-10-22-19)23-15-7-5-12(27-2)9-16(15)28-3/h4-10H,1-3H3,(H,21,22,23)