N-[(4-fluorophenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-[(4-fluorophenyl)methyl]-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[(4-fluorophenyl)methyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-[(4-fluorophenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (4-fluorobenzyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H14FN5O2S MolecularWeight: 407.420863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NCC4=CC=C(C=C4)F)N=CC=C2

InChI

InChI=1S/C20H14FN5O2S/c21-15-8-6-13(7-9-15)11-23-19-18(26(27)28)20(25-12-24-19)29-16-5-1-3-14-4-2-10-22-17(14)16/h1-10,12H,11H2,(H,23,24,25)