2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-phenylmethoxyphenyl)carbonylsulfamate; N,N-diethylethanamine

Systemtic Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-phenylmethoxyphenyl)carbonylsulfamate; N,N-diethylethanamine Openeye Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-benzyloxybenzoyl)sulfamate; N,N-diethylethanamine CAS Name: N,N-diethylethanamine; N-[oxo-(2-phenylmethoxyphenyl)methyl]sulfamic acid 2-[(6-aminopurin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-phenylmethoxybenzoyl)sulfamate; N,N-diethylethanamine Traditional Name: N-(2-benzoxybenzoyl)sulfamic acid 2-(adenin-9-ylmethoxy)ethyl ester; triethylamine Formula: C28H37N7O6S MolecularWeight: 599.70168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NS(=O)(=O)OCCOCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NS(=O)(=O)OCCOCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C22H22N6O6S.C6H15N/c23-20-19-21(25-13-24-20)28(14-26-19)15-32-10-11-34-35(30,31)27-22(29)17-8-4-5-9-18(17)33-12-16-6-2-1-3-7-16;1-4-7(5-2)6-3/h1-9,13-14H,10-12,15H2,(H,27,29)(H2,23,24,25);4-6H2,1-3H3