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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C16H16N6O2S/c23-22(24)14-15(18-7-4-9-21-10-8-17-12-21)19-11-20-16(14)25-13-5-2-1-3-6-13/h1-3,5-6,8,10-12H,4,7,9H2,(H,18,19,20)