N2-(4-methylphenyl)-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(4-methylphenyl)-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(p-tolyl)-6-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(4-methylphenyl)-6-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(4-methylphenyl)-6-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-s-triazin-2-yl]-(p-tolyl)amine Formula: C20H23N7O2S2 MolecularWeight: 457.57232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H23N7O2S2/c1-14-4-6-15(7-5-14)23-20-25-17(24-19(21)26-20)13-30-18-9-8-16(12-22-18)31(28,29)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13H2,1H3,(H3,21,23,24,25,26)