N-[1,1-bis(oxidanylidene)thian-4-yl]-2-(3-chloranyl-4-fluoranyl-phenyl)-6-ethyl-pyrimidin-4-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-2-(3-chloranyl-4-fluoranyl-phenyl)-6-ethyl-pyrimidin-4-amine Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-N-(1,1-dioxothian-4-yl)-6-ethyl-pyrimidin-4-amine CAS Name: 2-(3-chloro-4-fluorophenyl)-N-(1,1-dioxo-4-thianyl)-6-ethyl-4-pyrimidinamine IUPAC Name: 2-(3-chloro-4-fluorophenyl)-N-(1,1-dioxothian-4-yl)-6-ethylpyrimidin-4-amine Traditional Name: [2-(3-chloro-4-fluoro-phenyl)-6-ethyl-pyrimidin-4-yl]-(1,1-diketothian-4-yl)amine Formula: C17H19ClFN3O2S MolecularWeight: 383.868063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)C2=CC(=C(C=C2)F)Cl)NC3CCS(=O)(=O)CC3

Isomeric SMILES

CCC1=CC(=NC(=N1)C2=CC(=C(C=C2)F)Cl)NC3CCS(=O)(=O)CC3

InChI

InChI=1S/C17H19ClFN3O2S/c1-2-12-10-16(20-13-5-7-25(23,24)8-6-13)22-17(21-12)11-3-4-15(19)14(18)9-11/h3-4,9-10,13H,2,5-8H2,1H3,(H,20,21,22)