N-(4-chlorophenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-chlorophenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-chlorophenyl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(4-chlorophenyl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: (4-chlorophenyl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C16H11ClN4O2S MolecularWeight: 358.80214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN4O2S/c17-11-6-8-12(9-7-11)20-15-14(21(22)23)16(19-10-18-15)24-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)