2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-pyrrolidin-1-ylethyl)sulfamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl-(2-pyrrolidin-1-ylethyl)sulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-pyrrolidin-1-ylethyl)sulfamoyl]phenyl]acetic acid CAS Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-[2-(1-pyrrolidinyl)ethyl]sulfamoyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-(2-pyrrolidin-1-ylethyl)sulfamoyl]phenyl]acetic acid Traditional Name: 2-[3-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl-(2-pyrrolidinoethyl)sulfamoyl]phenyl]acetic acid Formula: C27H39N7O6S MolecularWeight: 589.70686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCN3CCCC3)S(=O)(=O)C4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN(CCN3CCCC3)S(=O)(=O)C4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C27H39N7O6S/c1-2-3-17-40-26-30-24(28)23-25(31-26)34(27(37)29-23)14-7-6-13-33(16-15-32-11-4-5-12-32)41(38,39)21-10-8-9-20(18-21)19-22(35)36/h8-10,18H,2-7,11-17,19H2,1H3,(H,29,37)(H,35,36)(H2,28,30,31)