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

Systemtic Name: [4-azanyl-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [4-amino-6-(4-methoxyanilino)-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-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methoxyanilino)-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-(p-anisidino)-s-triazin-2-yl]methyl ester Formula: C17H24N7OS2+ MolecularWeight: 406.54876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7OS2/c1-23-7-9-24(10-8-23)17(26)27-11-14-20-15(18)22-16(21-14)19-12-3-5-13(25-2)6-4-12/h3-6H,7-11H2,1-2H3,(H3,18,19,20,21,22)/p+1