6-azanyl-5-[2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-5-[2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-amino-2-benzylsulfanyl-5-[2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidin-4-one CAS Name: 6-amino-5-[2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-benzylsulfanyl-5-[2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(benzylthio)-5-[2-nitro-1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidin-4-one Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)C(C[N+](=O)[O-])C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)N)C(C[N+](=O)[O-])C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c21-20(22,23)15-9-5-4-8-13(15)14(10-27(29)30)16-17(24)25-19(26-18(16)28)31-11-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H3,24,25,26,28)