[6-(azocan-1-yl)-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [6-(azocan-1-yl)-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [6-(azocan-1-yl)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [6-(1-azocanyl)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(azocan-1-yl)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-(azocan-1-yl)-5-nitro-pyrimidin-4-yl] ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C(=NC=N2)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C2=C(C(=NC=N2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S/c13-8-20-12-10(17(18)19)11(14-9-15-12)16-6-4-2-1-3-5-7-16/h9H,1-7H2