6-(4-chlorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O2S/c1-21-9-7-13(8-10-21)22(2)16-15(23(24)25)17(20-11-19-16)26-14-5-3-12(18)4-6-14/h3-6,11,13H,7-10H2,1-2H3