N-(2-ethylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(2-ethylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(2-ethylphenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(2-ethylphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(2-ethylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (2-ethylphenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c1-2-14-7-3-4-10-16(14)25-20-19(26(27)28)21(24-13-23-20)29-17-11-5-8-15-9-6-12-22-18(15)17/h3-13H,2H2,1H3,(H,23,24,25)