5-nitro-N-(3-nitrophenyl)-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(3-nitrophenyl)-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(3-nitrophenyl)-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: 5-nitro-N-(3-nitrophenyl)-6-(phenylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(3-nitrophenyl)-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (3-nitrophenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C16H11N5O4S MolecularWeight: 369.35464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4S/c22-20(23)12-6-4-5-11(9-12)19-15-14(21(24)25)16(18-10-17-15)26-13-7-2-1-3-8-13/h1-10H,(H,17,18,19)