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

Systemtic Name: 6-(azepan-1-yl)-N2,N4-bis(2-chloranyl-5-methoxy-phenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2,N4-bis(2-chloro-5-methoxy-phenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2,N4-bis(2-chloro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N,4-N-bis(2-chloro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-(azepan-1-yl)-6-(2-chloro-5-methoxy-anilino)-s-triazin-2-yl]-(2-chloro-5-methoxy-phenyl)amine Formula: C23H26Cl2N6O2 MolecularWeight: 489.39754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2N6O2/c1-32-15-7-9-17(24)19(13-15)26-21-28-22(27-20-14-16(33-2)8-10-18(20)25)30-23(29-21)31-11-5-3-4-6-12-31/h7-10,13-14H,3-6,11-12H2,1-2H3,(H2,26,27,28,29,30)