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

Systemtic Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-hydroxyphenyl)carbonylsulfamate; N,N-diethylethanamine Openeye Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-hydroxybenzoyl)sulfamate; N,N-diethylethanamine CAS Name: N,N-diethylethanamine; N-[(2-hydroxyphenyl)-oxomethyl]sulfamic acid 2-[(6-aminopurin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(6-aminopurin-9-yl)methoxy]ethyl N-(2-hydroxybenzoyl)sulfamate; N,N-diethylethanamine Traditional Name: N-salicyloylsulfamic acid 2-(adenin-9-ylmethoxy)ethyl ester; triethylamine Formula: C21H31N7O6S MolecularWeight: 509.57914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C(=C1)C(=O)NS(=O)(=O)OCCOCN2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C(=C1)C(=O)NS(=O)(=O)OCCOCN2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C15H16N6O6S.C6H15N/c16-13-12-14(18-7-17-13)21(8-19-12)9-26-5-6-27-28(24,25)20-15(23)10-3-1-2-4-11(10)22;1-4-7(5-2)6-3/h1-4,7-8,22H,5-6,9H2,(H,20,23)(H2,16,17,18);4-6H2,1-3H3