6-(4-ethylphenoxy)-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylphenoxy)-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylphenoxy)-N-(3-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethylphenoxy)-N-(3-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylphenoxy)-N-(3-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-methyl-2-pyridyl)amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC=N3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC=N3)C

InChI

InChI=1S/C18H17N5O3/c1-3-13-6-8-14(9-7-13)26-18-15(23(24)25)17(20-11-21-18)22-16-12(2)5-4-10-19-16/h4-11H,3H2,1-2H3,(H,19,20,21,22)