[6-(azocan-1-yl)-2-methyl-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [6-(azocan-1-yl)-2-methyl-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [6-(azocan-1-yl)-2-methyl-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [6-(1-azocanyl)-2-methyl-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(azocan-1-yl)-2-methyl-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-(azocan-1-yl)-2-methyl-5-nitro-pyrimidin-4-yl] ester Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)SC#N)[N+](=O)[O-])N2CCCCCCC2

Isomeric SMILES

CC1=NC(=C(C(=N1)SC#N)[N+](=O)[O-])N2CCCCCCC2

InChI

InChI=1S/C13H17N5O2S/c1-10-15-12(17-7-5-3-2-4-6-8-17)11(18(19)20)13(16-10)21-9-14/h2-8H2,1H3