2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 4-fluorosulfonylbenzoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 4-fluorosulfonylbenzoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 4-fluorosulfonylbenzoate CAS Name: 4-fluorosulfonylbenzoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 4-fluorosulfonylbenzoate Traditional Name: 4-fluorosulfonylbenzoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C15H14FN5O6S MolecularWeight: 411.364963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)S(=O)(=O)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N)S(=O)(=O)F

InChI

InChI=1S/C15H14FN5O6S/c16-28(24,25)10-3-1-9(2-4-10)14(23)27-6-5-26-8-21-7-18-11-12(21)19-15(17)20-13(11)22/h1-4,7H,5-6,8H2,(H3,17,19,20,22)