8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline

Systemtic Name: 8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline Openeye Name: 8-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]sulfanylquinoline CAS Name: 8-[[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]thio]quinoline IUPAC Name: 8-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]sulfanylquinoline Traditional Name: 8-[[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]thio]quinoline Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H16N4O3S/c1-13-9-14(2)11-16(10-13)28-20-19(25(26)27)21(24-12-23-20)29-17-7-3-5-15-6-4-8-22-18(15)17/h3-12H,1-2H3