N-(3-chlorophenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chlorophenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-chlorophenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chlorophenyl)-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-chlorophenyl)-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (3-chlorophenyl)-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15ClN4O3/c1-2-12-6-8-15(9-7-12)26-18-16(23(24)25)17(20-11-21-18)22-14-5-3-4-13(19)10-14/h3-11H,2H2,1H3,(H,20,21,22)