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

Systemtic Name: 5-[[4-[[2,6-bis(azanyl)-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]carbamoylamino]-2-methoxy-benzenesulfonyl fluoride; sulfuric acid Openeye Name: 5-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]carbamoylamino]-2-methoxy-benzenesulfonyl fluoride; sulfuric acid CAS Name: 5-[[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)-4-pyrimidinyl]methoxy]-2-methylanilino]-oxomethyl]amino]-2-methoxybenzenesulfonyl fluoride; sulfuric acid IUPAC Name: 5-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methylphenyl]carbamoylamino]-2-methoxybenzenesulfonyl fluoride; sulfuric acid Traditional Name: 5-[[4-[[2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]-2-methyl-phenyl]carbamoylamino]-2-methoxy-benzenesulfonyl fluoride; sulfuric acid Formula: C26H25Cl2FN6O9S2 MolecularWeight: 719.545903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)NC(=O)NC4=CC(=C(C=C4)OC)S(=O)(=O)F.OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)NC(=O)NC4=CC(=C(C=C4)OC)S(=O)(=O)F.OS(=O)(=O)O

InChI

InChI=1S/C26H23Cl2FN6O5S.H2O4S/c1-13-9-16(40-12-20-23(24(30)35-25(31)33-20)14-3-6-17(27)18(28)10-14)5-7-19(13)34-26(36)32-15-4-8-21(39-2)22(11-15)41(29,37)38;1-5(2,3)4/h3-11H,12H2,1-2H3,(H2,32,34,36)(H4,30,31,33,35);(H2,1,2,3,4)