[2-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [2-[(4-fluorophenyl)methylamino]-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [2-[(4-fluorophenyl)methylamino]-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-[(4-fluorobenzyl)amino]-5-nitro-pyrimidin-4-yl] ester Formula: C12H8FN5O2S MolecularWeight: 305.287623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C(=N2)SC#N)[N+](=O)[O-])F

InChI

InChI=1S/C12H8FN5O2S/c13-9-3-1-8(2-4-9)5-15-12-16-6-10(18(19)20)11(17-12)21-7-14/h1-4,6H,5H2,(H,15,16,17)