6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-tosylpiperazino)methyl]-s-triazin-2-yl]amine Formula: C15H21N7O2S MolecularWeight: 363.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C15H21N7O2S/c1-11-2-4-12(5-3-11)25(23,24)22-8-6-21(7-9-22)10-13-18-14(16)20-15(17)19-13/h2-5H,6-10H2,1H3,(H4,16,17,18,19,20)