6-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C16H15ClN6O2S MolecularWeight: 390.8473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3)Cl

InChI

InChI=1S/C16H15ClN6O2S/c17-12-2-4-13(5-3-12)26-16-14(23(24)25)15(20-10-21-16)19-6-1-8-22-9-7-18-11-22/h2-5,7,9-11H,1,6,8H2,(H,19,20,21)