N-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: N-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine CAS Name: N-[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: [6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H17N5O3/c1-2-14-8-10-16(11-9-14)29-21-19(26(27)28)20(23-13-24-21)25-17-7-3-5-15-6-4-12-22-18(15)17/h3-13H,2H2,1H3,(H,23,24,25)