1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-yl]propan-2-one

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-yl]propan-2-one Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-yl]propan-2-one CAS Name: 1-[4-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-yl]-2-propanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-yl]propan-2-one Traditional Name: 1-[4-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-(3,4-dimethoxyphenyl)-s-triazin-2-yl]acetone Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=NC(=N1)C2=CC(=C(C=C2)OC)OC)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)CC1=NC(=NC(=N1)C2=CC(=C(C=C2)OC)OC)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O4S/c1-15(27)12-19-23-21(16-8-9-17(29-2)18(13-16)30-3)25-22(24-19)31-14-20(28)26-10-6-4-5-7-11-26/h8-9,13H,4-7,10-12,14H2,1-3H3