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

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C15H17ClN6O2S MolecularWeight: 380.85248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN6O2S/c1-20-6-8-21(9-7-20)19-14-13(22(23)24)15(18-10-17-14)25-12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H,17,18,19)