2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C13H13FN4O2S MolecularWeight: 308.331323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N)F

InChI

InChI=1S/C13H13FN4O2S/c1-20-10-3-2-7(4-8(10)14)9(19)6-21-13-17-11(15)5-12(16)18-13/h2-5H,6H2,1H3,(H4,15,16,17,18)