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

Systemtic Name: N2-(2-ethylphenyl)-6-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-ethylphenyl)-6-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-ethylphenyl)-6-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-ethylphenyl)-6-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]-s-triazin-2-yl]-(2-ethylphenyl)amine Formula: C21H25N7O3S2 MolecularWeight: 487.5983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N7O3S2/c1-2-15-5-3-4-6-17(15)24-21-26-18(25-20(22)27-21)14-32-19-8-7-16(13-23-19)33(29,30)28-9-11-31-12-10-28/h3-8,13H,2,9-12,14H2,1H3,(H3,22,24,25,26,27)