6-(azepan-1-yl)-N2,N4-bis(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2,N4-bis(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2,N4-bis(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2,N4-bis(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N,4-N-bis(2,4-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-(azepan-1-yl)-6-(2,4-dimethoxyanilino)-s-triazin-2-yl]-(2,4-dimethoxyphenyl)amine Formula: C25H32N6O4 MolecularWeight: 480.55938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCCCCC3)NC4=C(C=C(C=C4)OC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CCCCCC3)NC4=C(C=C(C=C4)OC)OC)OC

InChI

InChI=1S/C25H32N6O4/c1-32-17-9-11-19(21(15-17)34-3)26-23-28-24(27-20-12-10-18(33-2)16-22(20)35-4)30-25(29-23)31-13-7-5-6-8-14-31/h9-12,15-16H,5-8,13-14H2,1-4H3,(H2,26,27,28,29,30)