4-[3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride

Systemtic Name: 4-[3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride Openeye Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride CAS Name: 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride IUPAC Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride Traditional Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride Formula: C21H25FN6O3S MolecularWeight: 460.525003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F

InChI

InChI=1S/C21H25FN6O3S/c1-13-12-15(7-10-17(13)32(22,30)31)25-18(29)11-6-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27)