N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3,5-dimethylphenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3,5-dimethylphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3,5-dimethylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (3,5-dimethylphenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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