N2-(4-methylphenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(4-methylphenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(p-tolyl)-6-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methylphenyl)-6-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methylphenyl)-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[4-(2-thienylsulfonyl)piperazino]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C19H23N7O2S2 MolecularWeight: 445.56162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H23N7O2S2/c1-14-4-6-15(7-5-14)21-19-23-16(22-18(20)24-19)13-25-8-10-26(11-9-25)30(27,28)17-3-2-12-29-17/h2-7,12H,8-11,13H2,1H3,(H3,20,21,22,23,24)