N-(5-chloranyl-2-methyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H14ClN5O2S MolecularWeight: 423.87546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN5O2S/c1-12-7-8-14(21)10-15(12)25-19-18(26(27)28)20(24-11-23-19)29-16-6-2-4-13-5-3-9-22-17(13)16/h2-11H,1H3,(H,23,24,25)