[6-(3,5-dimethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [6-(3,5-dimethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [6-(3,5-dimethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [6-(3,5-dimethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-(3,5-dimethylpiperidino)-5-nitro-pyrimidin-4-yl] ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C(=NC=N2)SC#N)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C(=NC=N2)SC#N)[N+](=O)[O-])C

InChI

InChI=1S/C12H15N5O2S/c1-8-3-9(2)5-16(4-8)11-10(17(18)19)12(20-6-13)15-7-14-11/h7-9H,3-5H2,1-2H3