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

Systemtic Name: 5-nitro-N-(4-propan-2-ylphenyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-isopropylphenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(4-propan-2-ylphenyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-propan-2-ylphenyl)-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-p-cumenyl-amine Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O2S/c1-14(2)15-8-10-17(11-9-15)26-21-20(27(28)29)22(25-13-24-21)30-18-7-3-5-16-6-4-12-23-19(16)18/h3-14H,1-2H3,(H,24,25,26)