N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C16H9ClF3N5O2S MolecularWeight: 427.78817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H9ClF3N5O2S/c17-11-6-9(16(18,19)20)7-21-13(11)24-14-12(25(26)27)15(23-8-22-14)28-10-4-2-1-3-5-10/h1-8H,(H,21,22,23,24)