4-azanylidene-6-[(4-fluorophenyl)methyl]-1,1,3-trimethyl-5-(oxolan-2-ylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile

Systemtic Name: 4-azanylidene-6-[(4-fluorophenyl)methyl]-1,1,3-trimethyl-5-(oxolan-2-ylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile Openeye Name: 6-[(4-fluorophenyl)methyl]-4-imino-1,1,3-trimethyl-5-(tetrahydrofuran-2-ylmethylamino)-2-thioxo-hexahydropyrimidin-1-ium-5-carbonitrile CAS Name: 6-[(4-fluorophenyl)methyl]-4-imino-1,1,3-trimethyl-5-(2-oxolanylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile IUPAC Name: 6-[(4-fluorophenyl)methyl]-4-imino-1,1,3-trimethyl-5-(oxolan-2-ylmethylamino)-2-sulfanylidene-1,3-diazinan-1-ium-5-carbonitrile Traditional Name: 6-(4-fluorobenzyl)-4-imino-1,1,3-trimethyl-5-(tetrahydrofurfurylamino)-2-thioxo-hexahydropyrimidin-1-ium-5-carbonitrile Formula: C20H27FN5OS+ MolecularWeight: 404.524683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=N)C(C([N+](C1=S)(C)C)CC2=CC=C(C=C2)F)(C#N)NCC3CCCO3

Isomeric SMILES

CN1C(=N)C(C([N+](C1=S)(C)C)CC2=CC=C(C=C2)F)(C#N)NCC3CCCO3

InChI

InChI=1S/C20H27FN5OS/c1-25-18(23)20(13-22,24-12-16-5-4-10-27-16)17(26(2,3)19(25)28)11-14-6-8-15(21)9-7-14/h6-9,16-17,23-24H,4-5,10-12H2,1-3H3/q+1