[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C16H21FN7S2+ MolecularWeight: 394.513243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H20FN7S2/c1-23-6-8-24(9-7-23)16(25)26-10-13-20-14(18)22-15(21-13)19-12-4-2-11(17)3-5-12/h2-5H,6-10H2,1H3,(H3,18,19,20,21,22)/p+1