4-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]-2-chloranyl-benzenesulfonyl fluoride; 2-methoxyethanol

Systemtic Name: 4-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]-2-chloranyl-benzenesulfonyl fluoride; 2-methoxyethanol Openeye Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]-2-chloro-benzenesulfonyl fluoride; 2-methoxyethanol CAS Name: 4-[[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]amino]-2-chlorobenzenesulfonyl fluoride; 2-methoxyethanol IUPAC Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]-2-chlorobenzenesulfonyl fluoride; 2-methoxyethanol Traditional Name: 4-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoylamino]-2-chloro-benzenesulfonyl fluoride; 2-methoxyethanol Formula: C21H21ClFN7O6S MolecularWeight: 553.951143

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Descriptors Computed from Structure

Canonical SMILES:

COCCO.C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)F)Cl)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

COCCO.C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)F)Cl)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C18H13ClFN7O4S.C3H8O2/c19-12-7-10(4-5-13(12)32(20,30)31)24-18(29)23-9-2-1-3-11(6-9)27-8-22-14-15(27)25-17(21)26-16(14)28;1-5-3-2-4/h1-8H,(H2,23,24,29)(H3,21,25,26,28);4H,2-3H2,1H3