methyl 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetate CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetate Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-(2-methoxyethyl)sulfamoyl]phenyl]acetic acid methyl ester Formula: C25H36N6O7S MolecularWeight: 564.65434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCOC)S(=O)(=O)C3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCOC)S(=O)(=O)C3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C25H36N6O7S/c1-4-5-14-38-24-28-22(26)21-23(29-24)31(25(33)27-21)12-7-6-11-30(13-15-36-2)39(34,35)19-10-8-9-18(16-19)17-20(32)37-3/h8-10,16H,4-7,11-15,17H2,1-3H3,(H,27,33)(H2,26,28,29)