N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H19ClN4O5 MolecularWeight: 430.84166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C20H19ClN4O5/c1-4-12-5-7-13(8-6-12)30-20-18(25(26)27)19(22-11-23-20)24-15-9-14(21)16(28-2)10-17(15)29-3/h5-11H,4H2,1-3H3,(H,22,23,24)