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

Systemtic Name: N-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C20H15N5O2S MolecularWeight: 389.4304

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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=C3C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C20H15N5O2S/c1-13-7-9-14(10-8-13)28-20-18(25(26)27)19(22-12-23-20)24-17-6-2-5-16-15(17)4-3-11-21-16/h2-12H,1H3,(H,22,23,24)