[5-nitro-2-[(phenylmethyl)amino]pyrimidin-4-yl] thiocyanate

Systemtic Name: [5-nitro-2-[(phenylmethyl)amino]pyrimidin-4-yl] thiocyanate Openeye Name: [2-(benzylamino)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [5-nitro-2-[(phenylmethyl)amino]-4-pyrimidinyl] ester IUPAC Name: [2-(benzylamino)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [2-(benzylamino)-5-nitro-pyrimidin-4-yl] ester Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C(=N2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c13-8-20-11-10(17(18)19)7-15-12(16-11)14-6-9-4-2-1-3-5-9/h1-5,7H,6H2,(H,14,15,16)