[3-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]phenyl]-morpholin-4-yl-methanone; ethanesulfonic acid

Systemtic Name: [3-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]phenyl]-morpholin-4-yl-methanone; ethanesulfonic acid Openeye Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-morpholino-methanone; ethanesulfonic acid CAS Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-(4-morpholinyl)methanone; ethanesulfonic acid IUPAC Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-morpholin-4-ylmethanone; ethanesulfonic acid Traditional Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]methyl]phenyl]-morpholino-methanone; esylic acid Formula: C25H33ClN6O6S MolecularWeight: 581.08412

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)N4CCOCC4)Cl)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)N4CCOCC4)Cl)N)N)C

InChI

InChI=1S/C23H27ClN6O3.C2H6O3S/c1-23(2)28-21(25)27-22(26)30(23)17-6-7-19(18(24)13-17)33-14-15-4-3-5-16(12-15)20(31)29-8-10-32-11-9-29;1-2-6(3,4)5/h3-7,12-13H,8-11,14H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)