6-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-[(4-fluorophenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(4-fluorobenzyl)amine Formula: C17H12ClFN4O2S MolecularWeight: 390.819183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C17H12ClFN4O2S/c18-12-3-7-14(8-4-12)26-17-15(23(24)25)16(21-10-22-17)20-9-11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,20,21,22)