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

Systemtic Name: [6-(3,5-dimethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl] N,N-diethylcarbamodithioate Openeye Name: [6-(3,5-dimethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [6-(3,5-dimethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [6-(3,5-dimethylpiperidino)-5-nitro-pyrimidin-4-yl] ester Formula: C16H25N5O2S2 MolecularWeight: 383.532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])N2CC(CC(C2)C)C

Isomeric SMILES

CCN(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])N2CC(CC(C2)C)C

InChI

InChI=1S/C16H25N5O2S2/c1-5-19(6-2)16(24)25-15-13(21(22)23)14(17-10-18-15)20-8-11(3)7-12(4)9-20/h10-12H,5-9H2,1-4H3