[6-(3,5-dimethylpiperidin-1-yl)-2-methyl-5-nitro-pyrimidin-4-yl] thiocyanate

Systemtic Name: [6-(3,5-dimethylpiperidin-1-yl)-2-methyl-5-nitro-pyrimidin-4-yl] thiocyanate Openeye Name: [6-(3,5-dimethyl-1-piperidyl)-2-methyl-5-nitro-pyrimidin-4-yl] thiocyanate CAS Name: thiocyanic acid [6-(3,5-dimethyl-1-piperidinyl)-2-methyl-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(3,5-dimethylpiperidin-1-yl)-2-methyl-5-nitropyrimidin-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-(3,5-dimethylpiperidino)-2-methyl-5-nitro-pyrimidin-4-yl] ester Formula: C13H17N5O2S MolecularWeight: 307.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O2S/c1-8-4-9(2)6-17(5-8)12-11(18(19)20)13(21-7-14)16-10(3)15-12/h8-9H,4-6H2,1-3H3