2-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]quinolin-8-amine

Systemtic Name: 2-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]quinolin-8-amine Openeye Name: 2-methyl-N-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]quinolin-8-amine CAS Name: 2-methyl-N-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-8-quinolinamine IUPAC Name: 2-methyl-N-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=C(C=C4)C

InChI

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