N-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: N-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine CAS Name: N-[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)C

InChI

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