4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-chloranyl-phenyl]methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; sulfuric acid

Systemtic Name: 4-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-3-chloranyl-phenyl]methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; sulfuric acid Openeye Name: 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; sulfuric acid CAS Name: 4-[[[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]phenyl]methylamino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride; sulfuric acid IUPAC Name: 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride; sulfuric acid Traditional Name: 4-[[3-chloro-4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzyl]carbamoylamino]-2-methyl-benzenesulfonyl fluoride; sulfuric acid Formula: C26H24Cl3FN6O8S2 MolecularWeight: 737.991563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCC2=CC(=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)Cl)S(=O)(=O)F.OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCC2=CC(=C(C=C2)OCC3=C(C(=NC(=N3)N)N)C4=CC(=C(C=C4)Cl)Cl)Cl)S(=O)(=O)F.OS(=O)(=O)O

InChI

InChI=1S/C26H22Cl3FN6O4S.H2O4S/c1-13-8-16(4-7-22(13)41(30,38)39)34-26(37)33-11-14-2-6-21(19(29)9-14)40-12-20-23(24(31)36-25(32)35-20)15-3-5-17(27)18(28)10-15;1-5(2,3)4/h2-10H,11-12H2,1H3,(H2,33,34,37)(H4,31,32,35,36);(H2,1,2,3,4)