6-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C21H25N7O2S2 MolecularWeight: 471.5989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H25N7O2S2/c22-20-25-18(26-21(27-20)24-16-8-4-3-5-9-16)15-31-19-11-10-17(14-23-19)32(29,30)28-12-6-1-2-7-13-28/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H3,22,24,25,26,27)