(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: (4-amino-6-anilino-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-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-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-anilino-s-triazin-2-yl)methyl ester Formula: C16H22N7S2+ MolecularWeight: 376.52278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7S2/c1-22-7-9-23(10-8-22)16(24)25-11-13-19-14(17)21-15(20-13)18-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,17,18,19,20,21)/p+1